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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (4) Show 4 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2006-05-18 09:06:02 UTC

Update Date

2022-03-07 02:49:11 UTC

HMDB ID

HMDB0001940

Secondary Accession Numbers

HMDB01940

Metabolite Identification

Common Name

Triamterene

Description

Triamterene, also known as dyrenium or ademin, 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. Triamterene is a drug. While there is a lack of randomized controlled trials evaluating the use of triamterene in the treatment of Ménière's disease, the typical treatment is 37.5 mg of triamterene with 25 mg of hydrochlorothiazide 1-2 capsules daily. triamterene can be converted into triamterene through the action of the enzyme solute carrier family 22 member 2. In humans, triamterene is involved in the metabolic disorder called the triamterene action pathway. Triamterene directly blocks the epithelial sodium channel (ENaC) on the lumen side of the kidney collecting tubule. Hepatic impairment: Use with caution in people with severe hepatic dysfunction; in cirrhosis, avoid electrolyte and acid/base imbalances that might lead to hepatic encephalopathy. The patents had expired on Dyazide in 1980, but complications arose with the introductions of generics, because the formulation of Dyazide resulted in variable batches that made it impossible for generic manufacturers to show that their versions were bioequivalent.

Structure

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

HMDB0001940
     RDKit          3D
Triamterene
 30 32  0  0  0  0  0  0  0  0999 V2000
    5.6816   -0.1663    0.3054 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899    0.0055    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9065    0.8854   -0.8923 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.0390   -1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1684    1.9606   -2.1140 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709    0.3222   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3504    0.4663   -0.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5556   -0.2411    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9747   -0.0613   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -0.0396   -1.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135    0.1254   -1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6793    0.2763   -0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2734    0.2556    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261    0.0870    0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459   -1.1287    1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -1.8662    1.8995 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1813   -1.2773    1.3449 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726   -0.5671    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010   -0.6973    0.7976 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1440    0.1774    1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2530   -0.6610   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    1.5637   -3.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    2.9712   -1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675   -0.1543   -2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0465    0.1433   -2.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7206    0.4060   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0124    0.3721    1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231    0.0728    1.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6743   -2.6397    1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2501   -1.6298    2.9066 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
 13 14  2  0
  8 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 18  6  1  0
 14  9  1  0
  1 20  1  0
  1 21  1  0
  5 22  1  0
  5 23  1  0
 10 24  1  0
 11 25  1  0
 12 26  1  0
 13 27  1  0
 14 28  1  0
 16 29  1  0
 16 30  1  0
M  END

384
  Mrv1652305271900312D          

 19 21  0  0  0  0            999 V2000
    4.5079   -0.4720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9599    1.2066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.0766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9503   -1.3255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4202    1.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9599   -0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  2  0  0  0  0
  3 11  2  0  0  0  0
  3 16  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001940

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)

> <INCHI_KEY>
FNYLWPVRPXGIIP-UHFFFAOYSA-N

> <FORMULA>
C12H11N7

> <MOLECULAR_WEIGHT>
253.2626

> <EXACT_MASS>
253.107593387

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
25.90215754141123

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-phenylpteridine-2,4,7-triamine

> <ALOGPS_LOGP>
1.21

> <JCHEM_LOGP>
1.1145714720000002

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.534157164590276

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.876224904751819

> <JCHEM_PKA_STRONGEST_BASIC>
1.8558374088746836

> <JCHEM_POLAR_SURFACE_AREA>
129.62

> <JCHEM_REFRACTIVITY>
75.12590000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.63e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
triamterene

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001940
     RDKit          3D
Triamterene
 30 32  0  0  0  0  0  0  0  0999 V2000
    5.6816   -0.1663    0.3054 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899    0.0055    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9065    0.8854   -0.8923 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.0390   -1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1684    1.9606   -2.1140 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709    0.3222   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3504    0.4663   -0.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5556   -0.2411    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9747   -0.0613   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -0.0396   -1.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135    0.1254   -1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6793    0.2763   -0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2734    0.2556    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261    0.0870    0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459   -1.1287    1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -1.8662    1.8995 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1813   -1.2773    1.3449 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726   -0.5671    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010   -0.6973    0.7976 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1440    0.1774    1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2530   -0.6610   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    1.5637   -3.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    2.9712   -1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675   -0.1543   -2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0465    0.1433   -2.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7206    0.4060   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0124    0.3721    1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231    0.0728    1.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6743   -2.6397    1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2501   -1.6298    2.9066 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
 13 14  2  0
  8 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 18  6  1  0
 14  9  1  0
  1 20  1  0
  1 21  1  0
  5 22  1  0
  5 23  1  0
 10 24  1  0
 11 25  1  0
 12 26  1  0
 13 27  1  0
 14 28  1  0
 16 29  1  0
 16 30  1  0
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 384                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  N   UNK     0       8.415  -0.881   0.000  0.00  0.00           N+0
HETATM    2  N   UNK     0       8.415   2.199   0.000  0.00  0.00           N+0
HETATM    3  N   UNK     0      11.125   2.252   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0      12.520  -0.143   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       5.747   2.199   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0      11.107  -2.474   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      13.851   2.236   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       7.081  -0.111   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.748  -0.111   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.747  -0.881   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.748   1.429   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.081   1.429   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.125  -0.934   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.747  -2.421   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.414  -0.111   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.520   1.461   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.414  -3.191   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.080  -0.881   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.080  -2.421   0.000  0.00  0.00           C+0
CONECT    1    8    9                                                       
CONECT    2   11   12                                                       
CONECT    3   11   16                                                       
CONECT    4   13   16                                                       
CONECT    5   12                                                            
CONECT    6   13                                                            
CONECT    7   16                                                            
CONECT    8    1   10   12                                                  
CONECT    9    1   11   13                                                  
CONECT   10    8   14   15                                                  
CONECT   11    2    3    9                                                  
CONECT   12    2    5    8                                                  
CONECT   13    4    6    9                                                  
CONECT   14   10   17                                                       
CONECT   15   10   18                                                       
CONECT   16    3    4    7                                                  
CONECT   17   14   19                                                       
CONECT   18   15   19                                                       
CONECT   19   17   18                                                       
MASTER        0    0    0    0    0    0    0    0   19    0   42    0
END

COMPND    HMDB0001940
HETATM    1  N1  UNL     1       5.682  -0.166   0.305  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.290   0.005   0.071  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.907   0.885  -0.892  1.00  0.00           N  
HETATM    4  C2  UNL     1       2.588   1.039  -1.105  1.00  0.00           C  
HETATM    5  N3  UNL     1       2.168   1.961  -2.114  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.671   0.322  -0.364  1.00  0.00           C  
HETATM    7  N4  UNL     1       0.350   0.466  -0.566  1.00  0.00           N  
HETATM    8  C4  UNL     1      -0.556  -0.241   0.165  1.00  0.00           C  
HETATM    9  C5  UNL     1      -1.975  -0.061  -0.079  1.00  0.00           C  
HETATM   10  C6  UNL     1      -2.390  -0.040  -1.411  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.713   0.125  -1.752  1.00  0.00           C  
HETATM   12  C8  UNL     1      -4.679   0.276  -0.759  1.00  0.00           C  
HETATM   13  C9  UNL     1      -4.273   0.256   0.562  1.00  0.00           C  
HETATM   14  C10 UNL     1      -2.926   0.087   0.881  1.00  0.00           C  
HETATM   15  C11 UNL     1      -0.146  -1.129   1.138  1.00  0.00           C  
HETATM   16  N5  UNL     1      -1.105  -1.866   1.899  1.00  0.00           N  
HETATM   17  N6  UNL     1       1.181  -1.277   1.345  1.00  0.00           N  
HETATM   18  C12 UNL     1       2.073  -0.567   0.610  1.00  0.00           C  
HETATM   19  N7  UNL     1       3.401  -0.697   0.798  1.00  0.00           N  
HETATM   20  H1  UNL     1       6.144   0.177   1.153  1.00  0.00           H  
HETATM   21  H2  UNL     1       6.253  -0.661  -0.413  1.00  0.00           H  
HETATM   22  H3  UNL     1       1.917   1.564  -3.039  1.00  0.00           H  
HETATM   23  H4  UNL     1       2.134   2.971  -1.883  1.00  0.00           H  
HETATM   24  H5  UNL     1      -1.667  -0.154  -2.226  1.00  0.00           H  
HETATM   25  H6  UNL     1      -4.047   0.143  -2.798  1.00  0.00           H  
HETATM   26  H7  UNL     1      -5.721   0.406  -1.036  1.00  0.00           H  
HETATM   27  H8  UNL     1      -5.012   0.372   1.359  1.00  0.00           H  
HETATM   28  H9  UNL     1      -2.623   0.073   1.919  1.00  0.00           H  
HETATM   29  H10 UNL     1      -1.674  -2.640   1.492  1.00  0.00           H  
HETATM   30  H11 UNL     1      -1.250  -1.630   2.907  1.00  0.00           H  
CONECT    1    2   20   21
CONECT    2    3    3   19
CONECT    3    4
CONECT    4    5    6    6
CONECT    5   22   23
CONECT    6    7   18
CONECT    7    8    8
CONECT    8    9   15
CONECT    9   10   10   14
CONECT   10   11   24
CONECT   11   12   12   25
CONECT   12   13   26
CONECT   13   14   14   27
CONECT   14   28
CONECT   15   16   17   17
CONECT   16   29   30
CONECT   17   18
CONECT   18   19   19
END

HMDB0001940
     RDKit          3D
Triamterene
 30 32  0  0  0  0  0  0  0  0999 V2000
    5.6816   -0.1663    0.3054 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899    0.0055    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9065    0.8854   -0.8923 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.0390   -1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1684    1.9606   -2.1140 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709    0.3222   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3504    0.4663   -0.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5556   -0.2411    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9747   -0.0613   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -0.0396   -1.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135    0.1254   -1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6793    0.2763   -0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2734    0.2556    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261    0.0870    0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459   -1.1287    1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -1.8662    1.8995 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1813   -1.2773    1.3449 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726   -0.5671    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010   -0.6973    0.7976 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1440    0.1774    1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2530   -0.6610   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    1.5637   -3.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    2.9712   -1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675   -0.1543   -2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0465    0.1433   -2.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7206    0.4060   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0124    0.3721    1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231    0.0728    1.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6743   -2.6397    1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2501   -1.6298    2.9066 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
 13 14  2  0
  8 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 18  6  1  0
 14  9  1  0
  1 20  1  0
  1 21  1  0
  5 22  1  0
  5 23  1  0
 10 24  1  0
 11 25  1  0
 12 26  1  0
 13 27  1  0
 14 28  1  0
 16 29  1  0
 16 30  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Triamterena	ChEBI
Triamterenum	ChEBI
Dyrenium	Kegg
6-Phenyl-2,4,7-triaminopteridine	HMDB
Ademin	HMDB
Ademine	HMDB
Diren	HMDB
Ditak	HMDB
Diurene	HMDB
Dyren	HMDB
Dytac	HMDB
Jatropur	HMDB
Noridil	HMDB
Noridyl	HMDB
Pterofen	HMDB
Pterophene	HMDB
Taturil	HMDB
Teriam	HMDB
Teridin	HMDB
Tri-span	HMDB
Triampur	HMDB
Triamteren	HMDB
Triamteril	HMDB
Triamteril complex	HMDB
Trispan	HMDB
Triteren	HMDB
Jorba brand OF triamterene	HMDB
SmithKline beecham brand OF triamterene	HMDB
Wellspring brand OF triamterene	HMDB
Urocaudal	HMDB
Goldshield brand OF triamterene	HMDB

Chemical Formula

C₁₂H₁₁N₇

Average Molecular Weight

253.2626

Monoisotopic Molecular Weight

253.107593387

IUPAC Name

6-phenylpteridine-2,4,7-triamine

Traditional Name

triamterene

CAS Registry Number

396-01-0

SMILES

NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)

InChI Key

FNYLWPVRPXGIIP-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
Aminopyrimidine
Monocyclic benzene moiety
Pyrazine
Pyrimidine
Benzenoid
Imidolactam
Heteroaromatic compound
Azacycle
Organic nitrogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Organopnictogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Feces (PMID: 25037050)

Cellular substructure

Cytoplasm (HMDB: HMDB0001940)

Process

Naturally occurring process

Biological process

Biochemical pathway

Triamterene Action Pathway (HMDB: HMDB0001940)

Drug action pathway

Triamterene Action Pathway (PathBank: SMP0000132)

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001940)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	316 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	0.98	HANSCH,C ET AL. (1995)

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	Not Available	155.364	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000976

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.96 g/L	ALOGPS
logP	1.21	ALOGPS
logP	1.11	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	15.88	ChemAxon
pKa (Strongest Basic)	1.86	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	129.62 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	75.13 m³·mol⁻¹	ChemAxon
Polarizability	25.9 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
DarkChem	[M+H]+	158.113	31661259
DarkChem	[M-H]-	158.89	31661259
AllCCS	[M+H]+	157.746	32859911
AllCCS	[M-H]-	159.921	32859911
DeepCCS	[M+H]+	158.211	30932474
DeepCCS	[M-H]-	155.815	30932474
DeepCCS	[M-2H]-	188.699	30932474
DeepCCS	[M+Na]+	164.214	30932474
AllCCS	[M+H]+	157.7	32859911
AllCCS	[M+H-H2O]+	153.9	32859911
AllCCS	[M+NH4]+	161.3	32859911
AllCCS	[M+Na]+	162.4	32859911
AllCCS	[M-H]-	159.9	32859911
AllCCS	[M+Na-2H]-	159.3	32859911
AllCCS	[M+HCOO]-	158.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Triamterene	NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1	3716.4	Standard polar	33892256
Triamterene	NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1	2746.8	Standard non polar	33892256
Triamterene	NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1	2927.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Triamterene,1TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	3021.3	Semi standard non polar	33892256
Triamterene,1TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	2752.5	Standard non polar	33892256
Triamterene,1TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	4570.3	Standard polar	33892256
Triamterene,1TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	3045.4	Semi standard non polar	33892256
Triamterene,1TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	2747.1	Standard non polar	33892256
Triamterene,1TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	4473.8	Standard polar	33892256
Triamterene,1TMS,isomer #3	C[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1	3029.8	Semi standard non polar	33892256
Triamterene,1TMS,isomer #3	C[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1	2761.7	Standard non polar	33892256
Triamterene,1TMS,isomer #3	C[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1	4489.6	Standard polar	33892256
Triamterene,2TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	2925.5	Semi standard non polar	33892256
Triamterene,2TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	2750.3	Standard non polar	33892256
Triamterene,2TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	4199.3	Standard polar	33892256
Triamterene,2TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	2887.3	Semi standard non polar	33892256
Triamterene,2TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	2738.6	Standard non polar	33892256
Triamterene,2TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	4195.1	Standard polar	33892256
Triamterene,2TMS,isomer #3	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C	2824.5	Semi standard non polar	33892256
Triamterene,2TMS,isomer #3	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C	2864.6	Standard non polar	33892256
Triamterene,2TMS,isomer #3	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C	4417.3	Standard polar	33892256
Triamterene,2TMS,isomer #4	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=CC=C1	2923.7	Semi standard non polar	33892256
Triamterene,2TMS,isomer #4	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=CC=C1	2756.6	Standard non polar	33892256
Triamterene,2TMS,isomer #4	C[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C)=C2N=C1C1=CC=CC=C1	4033.6	Standard polar	33892256
Triamterene,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12)[Si](C)(C)C	2858.2	Semi standard non polar	33892256
Triamterene,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12)[Si](C)(C)C	2866.1	Standard non polar	33892256
Triamterene,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12)[Si](C)(C)C	4344.7	Standard polar	33892256
Triamterene,2TMS,isomer #6	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C	2860.9	Semi standard non polar	33892256
Triamterene,2TMS,isomer #6	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C	2834.6	Standard non polar	33892256
Triamterene,2TMS,isomer #6	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C	4302.3	Standard polar	33892256
Triamterene,3TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	2916.0	Semi standard non polar	33892256
Triamterene,3TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	2706.5	Standard non polar	33892256
Triamterene,3TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	3916.3	Standard polar	33892256
Triamterene,3TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	2838.2	Semi standard non polar	33892256
Triamterene,3TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	2846.5	Standard non polar	33892256
Triamterene,3TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	3994.7	Standard polar	33892256
Triamterene,3TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	2834.3	Semi standard non polar	33892256
Triamterene,3TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	2835.8	Standard non polar	33892256
Triamterene,3TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	4021.5	Standard polar	33892256
Triamterene,3TMS,isomer #4	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=CC=C1	2808.6	Semi standard non polar	33892256
Triamterene,3TMS,isomer #4	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=CC=C1	2828.0	Standard non polar	33892256
Triamterene,3TMS,isomer #4	C[Si](C)(C)NC1=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C2N=C1C1=CC=CC=C1	4028.0	Standard polar	33892256
Triamterene,3TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	2816.8	Semi standard non polar	33892256
Triamterene,3TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	2794.9	Standard non polar	33892256
Triamterene,3TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3982.7	Standard polar	33892256
Triamterene,3TMS,isomer #6	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=CC=C3)N=C12	2840.4	Semi standard non polar	33892256
Triamterene,3TMS,isomer #6	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=CC=C3)N=C12	2813.4	Standard non polar	33892256
Triamterene,3TMS,isomer #6	C[Si](C)(C)NC1=NC(N)=NC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C3=CC=CC=C3)N=C12	3796.8	Standard polar	33892256
Triamterene,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=CC=C1	2829.0	Semi standard non polar	33892256
Triamterene,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=CC=C1	2840.7	Standard non polar	33892256
Triamterene,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=CC=C1	3868.0	Standard polar	33892256
Triamterene,4TMS,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=CC=C1	2874.7	Semi standard non polar	33892256
Triamterene,4TMS,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=CC=C1	2810.4	Standard non polar	33892256
Triamterene,4TMS,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=CC=C1	3715.5	Standard polar	33892256
Triamterene,4TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	2885.5	Semi standard non polar	33892256
Triamterene,4TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	2804.3	Standard non polar	33892256
Triamterene,4TMS,isomer #2	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C)=NC2=N1	3712.3	Standard polar	33892256
Triamterene,4TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	2894.4	Semi standard non polar	33892256
Triamterene,4TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	2785.4	Standard non polar	33892256
Triamterene,4TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3678.9	Standard polar	33892256
Triamterene,4TMS,isomer #4	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C	2839.9	Semi standard non polar	33892256
Triamterene,4TMS,isomer #4	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C	2933.4	Standard non polar	33892256
Triamterene,4TMS,isomer #4	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C	3830.6	Standard polar	33892256
Triamterene,4TMS,isomer #5	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	2816.2	Semi standard non polar	33892256
Triamterene,4TMS,isomer #5	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	2907.3	Standard non polar	33892256
Triamterene,4TMS,isomer #5	C[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	3829.6	Standard polar	33892256
Triamterene,4TMS,isomer #6	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C	2840.1	Semi standard non polar	33892256
Triamterene,4TMS,isomer #6	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C	2907.5	Standard non polar	33892256
Triamterene,4TMS,isomer #6	C[Si](C)(C)N(C1=NC2=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C	3657.7	Standard polar	33892256
Triamterene,5TMS,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=CC=C3)N=C12	2927.1	Semi standard non polar	33892256
Triamterene,5TMS,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=CC=C3)N=C12	2915.4	Standard non polar	33892256
Triamterene,5TMS,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=CC=C3)N=C12	3489.5	Standard polar	33892256
Triamterene,5TMS,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=CC=C1	2916.5	Semi standard non polar	33892256
Triamterene,5TMS,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=CC=C1	2920.8	Standard non polar	33892256
Triamterene,5TMS,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=CC=C1	3523.5	Standard polar	33892256
Triamterene,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	2945.3	Semi standard non polar	33892256
Triamterene,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	2902.0	Standard non polar	33892256
Triamterene,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1	3492.0	Standard polar	33892256
Triamterene,6TMS,isomer #1	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	2988.8	Semi standard non polar	33892256
Triamterene,6TMS,isomer #1	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	3015.6	Standard non polar	33892256
Triamterene,6TMS,isomer #1	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=N1)[Si](C)(C)C	3299.1	Standard polar	33892256
Triamterene,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	3154.0	Semi standard non polar	33892256
Triamterene,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	2921.7	Standard non polar	33892256
Triamterene,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	4584.9	Standard polar	33892256
Triamterene,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	3199.5	Semi standard non polar	33892256
Triamterene,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	2913.3	Standard non polar	33892256
Triamterene,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12	4516.3	Standard polar	33892256
Triamterene,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1	3178.1	Semi standard non polar	33892256
Triamterene,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1	2922.3	Standard non polar	33892256
Triamterene,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1	4528.7	Standard polar	33892256
Triamterene,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	3242.9	Semi standard non polar	33892256
Triamterene,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	3129.6	Standard non polar	33892256
Triamterene,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1	4261.6	Standard polar	33892256
Triamterene,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3200.1	Semi standard non polar	33892256
Triamterene,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3112.7	Standard non polar	33892256
Triamterene,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4258.2	Standard polar	33892256
Triamterene,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	3221.0	Semi standard non polar	33892256
Triamterene,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	3196.9	Standard non polar	33892256
Triamterene,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	4382.8	Standard polar	33892256
Triamterene,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=CC=C1	3244.7	Semi standard non polar	33892256
Triamterene,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=CC=C1	3105.8	Standard non polar	33892256
Triamterene,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=NC(N)=NC(N[Si](C)(C)C(C)(C)C)=C2N=C1C1=CC=CC=C1	4119.7	Standard polar	33892256
Triamterene,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12)[Si](C)(C)C(C)(C)C	3253.6	Semi standard non polar	33892256
Triamterene,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12)[Si](C)(C)C(C)(C)C	3191.3	Standard non polar	33892256
Triamterene,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC2=NC(N)=C(C3=CC=CC=C3)N=C12)[Si](C)(C)C(C)(C)C	4355.6	Standard polar	33892256
Triamterene,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C(C)(C)C	3235.9	Semi standard non polar	33892256
Triamterene,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C(C)(C)C	3165.8	Standard non polar	33892256
Triamterene,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C1=NC2=NC(N)=NC(N)=C2N=C1C1=CC=CC=C1)[Si](C)(C)C(C)(C)C	4303.2	Standard polar	33892256
Triamterene,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3358.6	Semi standard non polar	33892256
Triamterene,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3273.2	Standard non polar	33892256
Triamterene,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	4087.9	Standard polar	33892256
Triamterene,3TBDMS,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=CC=C3)N=C12	3348.4	Semi standard non polar	33892256
Triamterene,3TBDMS,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=CC=C3)N=C12	3355.3	Standard non polar	33892256
Triamterene,3TBDMS,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=CC=C3)N=C12	4106.9	Standard polar	33892256
Triamterene,3TBDMS,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=CC=C3)C(N)=NC2=N1	3342.8	Semi standard non polar	33892256
Triamterene,3TBDMS,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=CC=C3)C(N)=NC2=N1	3366.0	Standard non polar	33892256
Triamterene,3TBDMS,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=CC=C3)C(N)=NC2=N1	4143.1	Standard polar	33892256
Triamterene,3TBDMS,isomer #4	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=CC=C1	3311.5	Semi standard non polar	33892256
Triamterene,3TBDMS,isomer #4	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=CC=C1	3331.4	Standard non polar	33892256
Triamterene,3TBDMS,isomer #4	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=CC=C1	4143.2	Standard polar	33892256
Triamterene,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3313.3	Semi standard non polar	33892256
Triamterene,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3332.7	Standard non polar	33892256
Triamterene,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	4108.1	Standard polar	33892256
Triamterene,3TBDMS,isomer #6	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=CC=C3)N=C12	3338.5	Semi standard non polar	33892256
Triamterene,3TBDMS,isomer #6	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=CC=C3)N=C12	3332.1	Standard non polar	33892256
Triamterene,3TBDMS,isomer #6	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=CC=C3)N=C12	3956.8	Standard polar	33892256
Triamterene,3TBDMS,isomer #7	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=CC=C1	3328.1	Semi standard non polar	33892256
Triamterene,3TBDMS,isomer #7	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=CC=C1	3337.9	Standard non polar	33892256
Triamterene,3TBDMS,isomer #7	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=CC=C1	4026.8	Standard polar	33892256
Triamterene,4TBDMS,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=CC=C1	3483.3	Semi standard non polar	33892256
Triamterene,4TBDMS,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=CC=C1	3520.6	Standard non polar	33892256
Triamterene,4TBDMS,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=CC=C1	3964.8	Standard polar	33892256
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)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3479.5	Semi standard non polar	33892256
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)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3535.5	Standard non polar	33892256
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)=C2N=C(C3=CC=CC=C3)C(N[Si](C)(C)C(C)(C)C)=NC2=N1	3971.1	Standard polar	33892256
Triamterene,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3497.5	Semi standard non polar	33892256
Triamterene,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3515.0	Standard non polar	33892256
Triamterene,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C2N=C(C3=CC=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3944.7	Standard polar	33892256
Triamterene,4TBDMS,isomer #4	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=CC=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	3456.4	Semi standard non polar	33892256
Triamterene,4TBDMS,isomer #4	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=CC=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	3561.6	Standard non polar	33892256
Triamterene,4TBDMS,isomer #4	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=CC=C3)C(N)=NC2=N1)[Si](C)(C)C(C)(C)C	4019.0	Standard polar	33892256
Triamterene,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=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	3422.5	Semi standard non polar	33892256
Triamterene,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=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	3549.9	Standard non polar	33892256
Triamterene,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C2N=C(C3=CC=CC=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	4022.1	Standard polar	33892256
Triamterene,4TBDMS,isomer #6	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=CC=C1)[Si](C)(C)C(C)(C)C	3427.6	Semi standard non polar	33892256
Triamterene,4TBDMS,isomer #6	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=CC=C1)[Si](C)(C)C(C)(C)C	3567.5	Standard non polar	33892256
Triamterene,4TBDMS,isomer #6	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=CC=C1)[Si](C)(C)C(C)(C)C	3904.9	Standard polar	33892256
Triamterene,5TBDMS,isomer #1	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=CC=C3)N=C12	3649.3	Semi standard non polar	33892256
Triamterene,5TBDMS,isomer #1	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=CC=C3)N=C12	3760.4	Standard non polar	33892256
Triamterene,5TBDMS,isomer #1	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=CC=C3)N=C12	3835.0	Standard polar	33892256
Triamterene,5TBDMS,isomer #2	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=CC=C1	3649.1	Semi standard non polar	33892256
Triamterene,5TBDMS,isomer #2	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=CC=C1	3764.7	Standard non polar	33892256
Triamterene,5TBDMS,isomer #2	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=CC=C1	3866.0	Standard polar	33892256
Triamterene,5TBDMS,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=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3645.3	Semi standard non polar	33892256
Triamterene,5TBDMS,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=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3769.2	Standard non polar	33892256
Triamterene,5TBDMS,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=CC=C3)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=N1	3851.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Triamterene CI-B (Non-derivatized)	splash10-0udi-0090000000-c8bbcf103f5a3fdfebb5	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Triamterene CI-B (Non-derivatized)	splash10-0udi-0090000000-c8bbcf103f5a3fdfebb5	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Triamterene GC-MS (Non-derivatized) - 70eV, Positive	splash10-0w29-1290000000-6c14e74eed7c6b52485a	2017-08-28	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Triamterene GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene CI-B (Unknown) , Positive-QTOF	splash10-0udi-0090000000-c8bbcf103f5a3fdfebb5	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QTOF , positive-QTOF	splash10-0udr-0090000000-007b38b2c4832f349909	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QTOF , positive-QTOF	splash10-000i-0590000000-b0551f41584c039101f6	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QTOF , positive-QTOF	splash10-00kf-0910000000-6428faa965a39a470ea5	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0udi-0090000000-c1e38db82ca2bfb168b7	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0udi-0090000000-e0b752d624dade8793ef	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0udi-0090000000-4c12cffcdf72d196b590	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0f79-0190000000-e63d14e64b8206d5c635	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0f79-0970000000-a69efa072a4b5fca0463	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0uxu-0910000000-f8ece9e1491b71df0c70	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0uxu-3900000000-946796a2530a51263ccd	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0f79-9600000000-59b671ef134dd8106331	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene LC-ESI-QFT , positive-QTOF	splash10-0gw0-9200000000-3451a9c6dc2b3f4b6e3b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene , positive-QTOF	splash10-0udi-0190000000-425707e7729440a5bdb4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene , positive-QTOF	splash10-0udi-0190000000-32f8b6872d5877d00316	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 45V, Positive-QTOF	splash10-0udi-0090000000-a14c539f152a7ab67875	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 75V, Positive-QTOF	splash10-0f79-0970000000-fe05b51d696f50542dc0	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 60V, Positive-QTOF	splash10-0f79-0190000000-11a49ba5bf0ceb455fe2	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 90V, Positive-QTOF	splash10-0uxu-0910000000-68e1cc4a9e81f92b16e2	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 40V, Positive-QTOF	splash10-000i-0490000000-c81b5244938692d978e4	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 30V, Positive-QTOF	splash10-0udr-0090000000-c4e43e75d492d0f7ef6c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 50V, Positive-QTOF	splash10-00kf-0910000000-7e907c521bda88db046b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 75V, Positive-QTOF	splash10-0uy0-0950000000-9640d8d1b3c68318d31d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 60V, Positive-QTOF	splash10-0f79-0190000000-07d05ef78d285d7a3a86	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Triamterene 45V, Positive-QTOF	splash10-0udi-0090000000-53206da61b98c05436e3	2021-09-20	HMDB team, MONA	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Feces

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Triamterene Action Pathway		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB00384

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022755

KNApSAcK ID

Not Available

Chemspider ID

5345

KEGG Compound ID

D00386

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Triamterene

METLIN ID

2908

PubChem Compound

5546

PDB ID

Not Available

ChEBI ID

9671

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)

Download (PDF)

General References

Remonda L, Frigerio SB, Buhler R, Schroth G: Transvenous coil treatment of a type a carotid cavernous fistula in association with transarterial trispan coil protection. AJNR Am J Neuroradiol. 2004 Apr;25(4):611-3. [PubMed:15090352 ]
Weill A, Roy D, Georganos SA, Guilbert F, Raymond J: Use of the trispan device to assist coil embolization of high-flow arteriovenous fistulas. AJNR Am J Neuroradiol. 2002 Aug;23(7):1149-52. [PubMed:12169472 ]
Yang TH, Wong HF, Yang MS, Ou CH, Ho TL: "Waffle cone"technique for intra/extra-aneurysmal stent placement for the treatment of complex and wide-necked bifurcation aneurysm. Interv Neuroradiol. 2008 Nov 11;14 Suppl 2:49-52. Epub 2009 Jan 2. [PubMed:20557801 ]
Nakiri GS, Bravo E, Al-Khawaldeh M, Rivera R, Badilla L, Mounayer C: Endovascular treatment of aneurysm arising from fenestration of the supraclinoid internal carotid artery--two case reports. J Neuroradiol. 2012 Jul;39(3):195-9. doi: 10.1016/j.neurad.2011.10.001. Epub 2011 Dec 19. [PubMed:22189288 ]
Dib M, Sedat J, Raffaelli C, Petit I, Robertson WG, Jaeger P: Endovascular treatment of a wide-neck renal artery bifurcation aneurysm. J Vasc Interv Radiol. 2003 Nov;14(11):1461-4. [PubMed:14605114 ]
Turk AS, Rappe AH, Villar F, Virmani R, Strother CM: Evaluation of the TriSpan neck bridge device for the treatment of wide-necked aneurysms: an experimental study in canines. Stroke. 2001 Feb;32(2):492-7. [PubMed:11157188 ]
Henkes H, Kirsch M, Mariushi W, Miloslavski E, Brew S, Kuhne D: Coil treatment of a fusiform upper basilar trunk aneurysm with a combination of "kissing" neuroform stents, TriSpan-, 3D- and fibered coils, and permanent implantation of the microguidewires. Neuroradiology. 2004 Jun;46(6):464-8. Epub 2004 Apr 22. [PubMed:15103433 ]
Bradac GB, Bergui M, Stura G, Fontanella M, Daniele D, Gozzoli L, Berardino M, Ducati A: Periprocedural morbidity and mortality by endovascular treatment of cerebral aneurysms with GDC: a retrospective 12-year experience of a single center. Neurosurg Rev. 2007 Apr;30(2):117-25; discussion 125-6. Epub 2007 Jan 11. [PubMed:17216530 ]
Cil BE, Erdogan C, Akmangit I, Cekirge S, Balkanci F: Use of the TriSpan coil to facilitate the transcatheter occlusion of pulmonary arteriovenous malformation. Cardiovasc Intervent Radiol. 2004 Nov-Dec;27(6):655-8. [PubMed:15593430 ]
Schroth G, Lovblad KO, Ozdoba C, Remonda L: Non-traumatic neurological emergencies: emergency neuroradiological interventions. Eur Radiol. 2002 Jul;12(7):1648-62. Epub 2002 May 18. [PubMed:12111055 ]
Chan DT, Boet R, Yu S, Poon WS: Trispan-assisted coiling of a wide-necked Persistent Trigeminal Artery aneurysm. Acta Neurochir (Wien). 2004 Jan;146(1):87-8; discussion 88. Epub 2003 Dec 15. [PubMed:14740272 ]

Enzymes

Enzyme Details

1. Amiloride-sensitive sodium channel subunit alpha

General function:: Involved in ligand-gated sodium channel activity
Specific function:: Sodium permeable non-voltage-sensitive ion channel inhibited by the diuretic amiloride. Mediates the electrodiffusion of the luminal sodium (and water, which follows osmotically) through the apical membrane of epithelial cells. Controls the reabsorption of sodium in kidney, colon, lung and sweat glands. Also plays a role in taste perception
Gene Name:: SCNN1A
Uniprot ID:: P37088
Molecular weight:: 75703.1

Enzyme Details

2. Amiloride-sensitive sodium channel subunit gamma

General function:: Involved in ligand-gated sodium channel activity
Specific function:: Sodium permeable non-voltage-sensitive ion channel inhibited by the diuretic amiloride. Mediates the electrodiffusion of the luminal sodium (and water, which follows osmotically) through the apical membrane of epithelial cells. Controls the reabsorption of sodium in kidney, colon, lung and sweat glands. Also plays a role in taste perception
Gene Name:: SCNN1G
Uniprot ID:: P51170
Molecular weight:: 74269.6

Enzyme Details

3. Amiloride-sensitive sodium channel subunit beta

General function:: Involved in ligand-gated sodium channel activity
Specific function:: Sodium permeable non-voltage-sensitive ion channel inhibited by the diuretic amiloride. Mediates the electrodiffusion of the luminal sodium (and water, which follows osmotically) through the apical membrane of epithelial cells. Controls the reabsorption of sodium in kidney, colon, lung and sweat glands. Also plays a role in taste perception
Gene Name:: SCNN1B
Uniprot ID:: P51168
Molecular weight:: 72658.5

Enzyme Details

4. Amiloride-sensitive sodium channel subunit delta

General function:: Involved in ligand-gated sodium channel activity
Specific function:: Sodium permeable non-voltage-sensitive ion channel inhibited by the diuretic amiloride. Mediates the electrodiffusion of the luminal sodium (and water, which follows osmotically) through the apical membrane of epithelial cells. Controls the reabsorption of sodium in kidney, colon, lung and sweat glands. Also plays a role in taste perception
Gene Name:: SCNN1D
Uniprot ID:: P51172
Molecular weight:: 70214.2

Showing metabocard for Triamterene (HMDB0001940)

MOL for HMDB0001940 (Triamterene)

3D MOL for HMDB0001940 (Triamterene)

3D SDF for HMDB0001940 (Triamterene)

3D-SDF for HMDB0001940 (Triamterene)

PDB for HMDB0001940 (Triamterene)

3D PDB for HMDB0001940 (Triamterene)

SMILES for HMDB0001940 (Triamterene)

INCHI for HMDB0001940 (Triamterene)

Structure for HMDB0001940 (Triamterene)

3D Structure for HMDB0001940 (Triamterene)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes