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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 23:27:36 UTC

Update Date

2021-09-26 22:55:31 UTC

HMDB ID

HMDB0246440

Secondary Accession Numbers

None

Metabolite Identification

Common Name

4-Hydroxy Triamterene

Description

4-Hydroxy Triamterene belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. Based on a literature review very few articles have been published on 4-Hydroxy Triamterene. This compound has been identified in human blood as reported by (PMID: 31557052 ). 4-hydroxy triamterene is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 4-Hydroxy Triamterene is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0246440
     RDKit          3D
4-Hydroxy Triamterene
 31 33  0  0  0  0  0  0  0  0999 V2000
    5.9677    0.0156    0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -0.1600    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503   -1.3123   -0.3768 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -1.5494   -0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277   -2.7691   -1.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673   -0.5148   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372   -0.6965   -0.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3067    0.3091   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7651    0.1482   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385    1.1317   -0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9087    0.9645   -0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4738   -0.1971   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8478   -0.3584   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7102   -1.1876    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433   -1.0352    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592    1.5242    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281    2.5804    0.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091    1.6687    0.5771 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6802    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7082    0.8391    0.4012 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175    0.1600   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3333   -0.0077    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307   -3.4532   -1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253   -2.9953   -0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734    2.0456   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4673    1.7589   -1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4551    0.3149   -0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2120   -2.0958    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702   -1.8191    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574    3.5202    0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452    2.4902    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  8 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 19  6  1  0
 15  9  1  0
  1 21  1  0
  1 22  1  0
  5 23  1  0
  5 24  1  0
 10 25  1  0
 11 26  1  0
 13 27  1  0
 14 28  1  0
 15 29  1  0
 17 30  1  0
 17 31  1  0
M  END

  Mrv1652309112101272D          

 20 22  0  0  0  0            999 V2000
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0246440

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC2=C(N=C(C(N)=N2)C2=CC=C(O)C=C2)C(N)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C12H11N7O/c13-9-7(5-1-3-6(20)4-2-5)16-8-10(14)18-12(15)19-11(8)17-9/h1-4,20H,(H6,13,14,15,17,18,19)

> <INCHI_KEY>
QNJVMSASTUDLGC-UHFFFAOYSA-N

> <FORMULA>
C12H11N7O

> <MOLECULAR_WEIGHT>
269.268

> <EXACT_MASS>
269.102508002

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
26.953177746657218

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(2,4,7-triaminopteridin-6-yl)phenol

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
0.8110061503333332

> <ALOGPS_LOGS>
-2.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.876783837229535

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.421207781364862

> <JCHEM_PKA_STRONGEST_BASIC>
1.8569587004161712

> <JCHEM_POLAR_SURFACE_AREA>
149.85

> <JCHEM_REFRACTIVITY>
77.1068

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.40e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(2,4,7-triaminopteridin-6-yl)phenol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0246440
     RDKit          3D
4-Hydroxy Triamterene
 31 33  0  0  0  0  0  0  0  0999 V2000
    5.9677    0.0156    0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -0.1600    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503   -1.3123   -0.3768 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -1.5494   -0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277   -2.7691   -1.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673   -0.5148   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372   -0.6965   -0.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3067    0.3091   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7651    0.1482   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385    1.1317   -0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9087    0.9645   -0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4738   -0.1971   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8478   -0.3584   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7102   -1.1876    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433   -1.0352    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592    1.5242    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281    2.5804    0.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091    1.6687    0.5771 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6802    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7082    0.8391    0.4012 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175    0.1600   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3333   -0.0077    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307   -3.4532   -1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253   -2.9953   -0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734    2.0456   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4673    1.7589   -1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4551    0.3149   -0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2120   -2.0958    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702   -1.8191    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574    3.5202    0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452    2.4902    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  8 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 19  6  1  0
 15  9  1  0
  1 21  1  0
  1 22  1  0
  5 23  1  0
  5 24  1  0
 10 25  1  0
 11 26  1  0
 13 27  1  0
 14 28  1  0
 15 29  1  0
 17 30  1  0
 17 31  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       0.000  -0.000   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -2.667   0.000   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       2.667  -0.000   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       2.667  -4.620   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       5.335  -0.000   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11    7   13                                                  
CONECT   13   12                                                            
CONECT   14   10   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16    9   18                                                  
CONECT   18   17                                                            
CONECT   19   15                                                            
CONECT   20    3                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

COMPND    HMDB0246440
HETATM    1  N1  UNL     1       5.968   0.016   0.231  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.562  -0.160   0.082  1.00  0.00           C  
HETATM    3  N2  UNL     1       4.050  -1.312  -0.377  1.00  0.00           N  
HETATM    4  C2  UNL     1       2.743  -1.549  -0.543  1.00  0.00           C  
HETATM    5  N3  UNL     1       2.228  -2.769  -1.027  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.867  -0.515  -0.212  1.00  0.00           C  
HETATM    7  N4  UNL     1       0.537  -0.696  -0.359  1.00  0.00           N  
HETATM    8  C4  UNL     1      -0.307   0.309  -0.037  1.00  0.00           C  
HETATM    9  C5  UNL     1      -1.765   0.148  -0.183  1.00  0.00           C  
HETATM   10  C6  UNL     1      -2.538   1.132  -0.754  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.909   0.965  -0.884  1.00  0.00           C  
HETATM   12  C8  UNL     1      -4.474  -0.197  -0.434  1.00  0.00           C  
HETATM   13  O1  UNL     1      -5.848  -0.358  -0.567  1.00  0.00           O  
HETATM   14  C9  UNL     1      -3.710  -1.188   0.138  1.00  0.00           C  
HETATM   15  C10 UNL     1      -2.343  -1.035   0.275  1.00  0.00           C  
HETATM   16  C11 UNL     1       0.159   1.524   0.442  1.00  0.00           C  
HETATM   17  N5  UNL     1      -0.728   2.580   0.782  1.00  0.00           N  
HETATM   18  N6  UNL     1       1.509   1.669   0.577  1.00  0.00           N  
HETATM   19  C12 UNL     1       2.364   0.680   0.262  1.00  0.00           C  
HETATM   20  N7  UNL     1       3.708   0.839   0.401  1.00  0.00           N  
HETATM   21  H1  UNL     1       6.618   0.160  -0.567  1.00  0.00           H  
HETATM   22  H2  UNL     1       6.333  -0.008   1.218  1.00  0.00           H  
HETATM   23  H3  UNL     1       2.831  -3.453  -1.522  1.00  0.00           H  
HETATM   24  H4  UNL     1       1.225  -2.995  -0.889  1.00  0.00           H  
HETATM   25  H5  UNL     1      -2.073   2.046  -1.105  1.00  0.00           H  
HETATM   26  H6  UNL     1      -4.467   1.759  -1.335  1.00  0.00           H  
HETATM   27  H7  UNL     1      -6.455   0.315  -0.969  1.00  0.00           H  
HETATM   28  H8  UNL     1      -4.212  -2.096   0.481  1.00  0.00           H  
HETATM   29  H9  UNL     1      -1.770  -1.819   0.723  1.00  0.00           H  
HETATM   30  H10 UNL     1      -0.557   3.520   0.364  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.545   2.490   1.422  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3    3   20
CONECT    3    4
CONECT    4    5    6    6
CONECT    5   23   24
CONECT    6    7   19
CONECT    7    8    8
CONECT    8    9   16
CONECT    9   10   10   15
CONECT   10   11   25
CONECT   11   12   12   26
CONECT   12   13   14
CONECT   13   27
CONECT   14   15   15   28
CONECT   15   29
CONECT   16   17   18   18
CONECT   17   30   31
CONECT   18   19
CONECT   19   20   20
END

HMDB0246440
     RDKit          3D
4-Hydroxy Triamterene
 31 33  0  0  0  0  0  0  0  0999 V2000
    5.9677    0.0156    0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -0.1600    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503   -1.3123   -0.3768 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -1.5494   -0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277   -2.7691   -1.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673   -0.5148   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372   -0.6965   -0.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3067    0.3091   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7651    0.1482   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385    1.1317   -0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9087    0.9645   -0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4738   -0.1971   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8478   -0.3584   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7102   -1.1876    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433   -1.0352    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592    1.5242    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281    2.5804    0.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091    1.6687    0.5771 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6802    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7082    0.8391    0.4012 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175    0.1600   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3333   -0.0077    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307   -3.4532   -1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253   -2.9953   -0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734    2.0456   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4673    1.7589   -1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4551    0.3149   -0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2120   -2.0958    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702   -1.8191    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574    3.5202    0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452    2.4902    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  8 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 19  6  1  0
 15  9  1  0
  1 21  1  0
  1 22  1  0
  5 23  1  0
  5 24  1  0
 10 25  1  0
 11 26  1  0
 13 27  1  0
 14 28  1  0
 15 29  1  0
 17 30  1  0
 17 31  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
4-Hydroxytriamterene	HMDB
Para-hydroxytriamterene	HMDB

Chemical Formula

C₁₂H₁₁N₇O

Average Molecular Weight

269.268

Monoisotopic Molecular Weight

269.102508002

IUPAC Name

4-(2,4,7-triaminopteridin-6-yl)phenol

Traditional Name

4-(2,4,7-triaminopteridin-6-yl)phenol

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(N=C(C(N)=N2)C2=CC=C(O)C=C2)C(N)=N1

InChI Identifier

InChI=1S/C12H11N7O/c13-9-7(5-1-3-6(20)4-2-5)16-8-10(14)18-12(15)19-11(8)17-9/h1-4,20H,(H6,13,14,15,17,18,19)

InChI Key

QNJVMSASTUDLGC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Not Available

Direct Parent

Pteridines and derivatives

Alternative Parents

Substituents

Pteridine
Aminopyrazine
1-hydroxy-2-unsubstituted benzenoid
Aminopyrimidine
Phenol
Monocyclic benzene moiety
Pyrazine
Imidolactam
Benzenoid
Pyrimidine
Heteroaromatic compound
Azacycle
Amine
Primary amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.79	ALOGPS
logP	0.81	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	9.42	ChemAxon
pKa (Strongest Basic)	1.86	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	149.85 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	77.11 m³·mol⁻¹	ChemAxon
Polarizability	26.95 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	166.287	30932474
DeepCCS	[M-H]-	163.929	30932474
DeepCCS	[M-2H]-	197.199	30932474
DeepCCS	[M+Na]+	172.426	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4-Hydroxy Triamterene	NC1=NC2=C(N=C(C(N)=N2)C2=CC=C(O)C=C2)C(N)=N1	4088.2	Standard polar	33892256
4-Hydroxy Triamterene	NC1=NC2=C(N=C(C(N)=N2)C2=CC=C(O)C=C2)C(N)=N1	2979.3	Standard non polar	33892256
4-Hydroxy Triamterene	NC1=NC2=C(N=C(C(N)=N2)C2=CC=C(O)C=C2)C(N)=N1	3342.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4-Hydroxy Triamterene,2TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3324.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3030.1	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	4732.7	Standard polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	3304.3	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	3039.4	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	4840.7	Standard polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #3	C[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3317.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #3	C[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3048.0	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #3	C[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	4741.2	Standard polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #4	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	3420.3	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #4	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	3142.2	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #4	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	5024.1	Standard polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	3394.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	3140.3	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	5011.5	Standard polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #6	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C	3319.3	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #6	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C	3174.9	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #6	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C	5170.5	Standard polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #7	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3395.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #7	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3151.4	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #7	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4790.4	Standard polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #8	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C	3348.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #8	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C	3147.4	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #8	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C	5009.4	Standard polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #9	C[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12)[Si](C)(C)C	3322.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #9	C[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12)[Si](C)(C)C	3175.0	Standard non polar	33892256
4-Hydroxy Triamterene,2TMS,isomer #9	C[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12)[Si](C)(C)C	5068.7	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	3202.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	3001.8	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	4573.3	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #10	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=C(O)C=C1	3209.0	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #10	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=C(O)C=C1	3195.8	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #10	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=C(O)C=C1	4727.2	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #11	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3218.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #11	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3163.9	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #11	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	4682.7	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #12	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	3242.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #12	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	3173.7	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #12	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	4442.9	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3229.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3199.9	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4533.3	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3213.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	2991.5	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	4382.2	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N)N=C3N=C2N)C=C1	3171.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N)N=C3N=C2N)C=C1	3110.6	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N)N=C3N=C2N)C=C1	4608.9	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	3186.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	2994.2	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	4567.1	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N)C=C1	3148.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N)C=C1	3135.3	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N)C=C1	4668.2	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3184.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3096.8	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	4554.3	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #7	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	3266.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #7	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	3137.6	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #7	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	4752.4	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #8	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12	3228.0	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #8	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12	3206.7	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #8	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12	4692.2	Standard polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	3230.9	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	3200.2	Standard non polar	33892256
4-Hydroxy Triamterene,3TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	4731.5	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	3173.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	2947.8	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	4316.5	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #10	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3179.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #10	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3203.0	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #10	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	4292.9	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #11	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C	3175.3	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #11	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C	3283.9	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #11	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C	4422.4	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #12	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	3165.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #12	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	3263.0	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #12	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	4419.9	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #13	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C	3188.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #13	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C	3258.4	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #13	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C	4200.4	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3140.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3090.4	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	4328.4	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	3144.9	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	3076.4	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N)=NC2=N1	4370.3	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3173.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3053.8	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	4112.3	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #5	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3157.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #5	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3056.2	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #5	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	4200.5	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #6	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3134.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #6	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3076.4	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #6	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	4370.2	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #7	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3150.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #7	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3049.7	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #7	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	4323.9	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #8	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3170.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #8	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3221.5	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #8	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4332.7	Standard polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	3166.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	3223.4	Standard non polar	33892256
4-Hydroxy Triamterene,4TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C)=NC2=N1	4344.1	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3206.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3057.4	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	4008.6	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	3206.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	3044.6	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N[Si](C)(C)C)=NC2=N1	4015.0	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3213.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3029.2	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3970.8	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N)C=C1	3175.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N)C=C1	3173.7	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N)C=C1	4131.8	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3190.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3145.6	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3946.7	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3175.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3148.1	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	4133.5	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #7	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	3212.3	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #7	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	3304.8	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #7	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	3920.4	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #8	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3203.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #8	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3303.8	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #8	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3975.3	Standard polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3230.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3293.1	Standard non polar	33892256
4-Hydroxy Triamterene,5TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3935.5	Standard polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #1	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3275.9	Semi standard non polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #1	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3152.6	Standard non polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #1	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C=C3)N=C12	3714.0	Standard polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #2	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3268.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #2	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3158.4	Standard non polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #2	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C)C=C1	3756.7	Standard polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3289.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3144.9	Standard non polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3725.3	Standard polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #4	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	3287.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #4	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	3395.4	Standard non polar	33892256
4-Hydroxy Triamterene,6TMS,isomer #4	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	3634.4	Standard polar	33892256
4-Hydroxy Triamterene,7TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3362.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,7TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3237.8	Standard non polar	33892256
4-Hydroxy Triamterene,7TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C3N=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1	3460.6	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	3768.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	3363.0	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	4746.0	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	3734.0	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	3402.2	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	4809.6	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3751.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3376.3	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	4757.5	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	3810.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	3497.8	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	4889.4	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3795.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3488.2	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4884.5	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	3697.1	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	3510.2	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	4953.1	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3819.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3481.6	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4709.1	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3727.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3466.0	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4853.6	Standard polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12)[Si](C)(C)C(C)(C)C	3720.0	Semi standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12)[Si](C)(C)C(C)(C)C	3488.2	Standard non polar	33892256
4-Hydroxy Triamterene,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12)[Si](C)(C)C(C)(C)C	4910.8	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	3759.9	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	3544.3	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	4591.4	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C2N=C1C1=CC=C(O)C=C1	3764.9	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C2N=C1C1=CC=C(O)C=C1	3686.3	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C2N=C1C1=CC=C(O)C=C1	4633.9	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3757.0	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3683.3	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4593.9	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	3774.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	3676.4	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	4409.4	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3781.0	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3681.6	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4495.9	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3752.0	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3514.0	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	4447.1	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N)N=C3N=C2N)C=C1	3739.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N)N=C3N=C2N)C=C1	3557.3	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N)N=C3N=C2N)C=C1	4648.0	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3728.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3539.4	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4588.9	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N)C=C1	3721.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N)C=C1	3604.7	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N)C=C1	4661.7	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3727.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3565.8	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4588.7	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3859.9	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3711.3	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4631.8	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12	3780.2	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12	3706.9	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N)=C(C3=CC=C(O)C=C3)N=C12	4591.3	Standard polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	3774.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	3715.6	Standard non polar	33892256
4-Hydroxy Triamterene,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1	4637.9	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3896.3	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3706.2	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4399.0	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3911.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3912.4	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4306.6	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	3857.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	3894.2	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	4397.1	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1)[Si](C)(C)C(C)(C)C	3836.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1)[Si](C)(C)C(C)(C)C	3876.0	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1)[Si](C)(C)C(C)(C)C	4398.7	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3840.0	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3886.3	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4255.5	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	3861.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	3752.1	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	4390.8	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	3854.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	3758.9	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N)=NC2=N1	4434.3	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	3850.9	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	3720.6	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N=C12	4242.3	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3840.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3723.8	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	4315.9	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3842.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3742.6	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	4429.9	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3846.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3735.3	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4396.4	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3901.3	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	3905.8	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4330.1	Standard polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3904.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3931.8	Standard non polar	33892256
4-Hydroxy Triamterene,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4345.2	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	4020.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3930.2	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	4238.8	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4015.7	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3944.0	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4250.1	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4040.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3913.8	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4223.0	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N)C=C1	3977.4	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N)C=C1	3941.3	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N)C=C1	4312.5	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3963.8	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3900.3	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(N)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4202.7	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3970.5	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3915.5	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=NC3=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C3N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4317.4	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	4016.1	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	4098.6	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)N=C12	4127.8	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4012.6	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4102.7	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=C(O)C=C1	4163.2	Standard polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4016.1	Semi standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4107.9	Standard non polar	33892256
4-Hydroxy Triamterene,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=C(O)C=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4147.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (Non-derivatized) - 70eV, Positive	splash10-004l-0190000000-96f1ebbfb797d8a08eb5	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxy Triamterene GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxy Triamterene 10V, Positive-QTOF	splash10-00di-0090000000-3d1949c434ed9e26506d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxy Triamterene 20V, Positive-QTOF	splash10-00di-0090000000-256bd15611a1a3ae4211	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxy Triamterene 40V, Positive-QTOF	splash10-004r-0790000000-059a4ee7ea423b00d8cf	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxy Triamterene 10V, Negative-QTOF	splash10-014i-0090000000-bec8be67f5ad723eb502	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxy Triamterene 20V, Negative-QTOF	splash10-014i-0090000000-0c04f9a01139b9bda8da	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxy Triamterene 40V, Negative-QTOF	splash10-0097-3590000000-bac4da8253d502264079	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10441055

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71046

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for 4-Hydroxy Triamterene (HMDB0246440)

MOL for HMDB0246440 (4-Hydroxy Triamterene)

3D MOL for HMDB0246440 (4-Hydroxy Triamterene)

3D SDF for HMDB0246440 (4-Hydroxy Triamterene)

3D-SDF for HMDB0246440 (4-Hydroxy Triamterene)

PDB for HMDB0246440 (4-Hydroxy Triamterene)

3D PDB for HMDB0246440 (4-Hydroxy Triamterene)

SMILES for HMDB0246440 (4-Hydroxy Triamterene)

INCHI for HMDB0246440 (4-Hydroxy Triamterene)

Structure for HMDB0246440 (4-Hydroxy Triamterene)

3D Structure for HMDB0246440 (4-Hydroxy Triamterene)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra