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Showing metabocard for Moroxydine (HMDB0254889)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 14:22:04 UTC
Update Date2021-09-26 23:09:17 UTC
HMDB IDHMDB0254889
Secondary Accession NumbersNone
Metabolite Identification
Common NameMoroxydine
DescriptionMoroxydine belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines. Based on a literature review very few articles have been published on Moroxydine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Moroxydine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Moroxydine 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0254889 (Moroxydine)


  Mrv1652306231722452D          

 12 12  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    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
   -0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0254889 (Moroxydine)

HMDB0254889
     RDKit          3D
Moroxydine
 25 25  0  0  0  0  0  0  0  0999 V2000
    2.9224    1.1387    0.7086 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8628    0.2169   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0204   -0.4937   -0.5910 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -0.0787   -0.7547 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811   -0.7727   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800   -1.8889    0.5480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308   -0.2512    0.0830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855    1.1602    0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.6338    0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1270    0.7365   -0.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1715   -0.5010    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8420   -1.1650   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027    1.4226    1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8005   -0.6388    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501   -0.8563   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    0.1899   -1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8419   -2.2871    0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2415    1.6689   -0.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4731    1.4519    1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    1.9182    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025    2.5779   -0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9191   -1.1112   -0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -0.4631    1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7461   -1.9238    0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120   -1.6840   -1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 11 22  1  0
 11 23  1  0
 12 24  1  0
 12 25  1  0
M  END
Download

3D SDF for HMDB0254889 (Moroxydine)


  Mrv1652306231722452D          

 12 12  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    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
   -0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0254889

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=N)NC(=N)N1CCOCC1

> <INCHI_IDENTIFIER>
InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)

> <INCHI_KEY>
KJHOZAZQWVKILO-UHFFFAOYSA-N

> <FORMULA>
C6H13N5O

> <MOLECULAR_WEIGHT>
171.204

> <EXACT_MASS>
171.112010059

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.318751819384133

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(morpholine-4-carboximidoyl)guanidine

> <ALOGPS_LOGP>
-1.51

> <JCHEM_LOGP>
-1.1369297166666665

> <ALOGPS_LOGS>
-2.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
11.847864629763572

> <JCHEM_POLAR_SURFACE_AREA>
98.22

> <JCHEM_REFRACTIVITY>
65.7172

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.41e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
virustat

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0254889 (Moroxydine)

HMDB0254889
     RDKit          3D
Moroxydine
 25 25  0  0  0  0  0  0  0  0999 V2000
    2.9224    1.1387    0.7086 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8628    0.2169   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0204   -0.4937   -0.5910 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -0.0787   -0.7547 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811   -0.7727   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800   -1.8889    0.5480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308   -0.2512    0.0830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855    1.1602    0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.6338    0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1270    0.7365   -0.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1715   -0.5010    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8420   -1.1650   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027    1.4226    1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8005   -0.6388    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501   -0.8563   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    0.1899   -1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8419   -2.2871    0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2415    1.6689   -0.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4731    1.4519    1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    1.9182    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025    2.5779   -0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9191   -1.1112   -0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -0.4631    1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7461   -1.9238    0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120   -1.6840   -1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 11 22  1  0
 11 23  1  0
 12 24  1  0
 12 25  1  0
M  END
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PDB for HMDB0254889 (Moroxydine)

HEADER    PROTEIN                                 23-JUN-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-JUN-17         0                                  
HETATM    1  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       2.667   4.620   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      -0.000   4.620   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -0.000   6.160   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -1.334   6.930   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       1.334   6.930   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0254889 (Moroxydine)

COMPND    HMDB0254889
HETATM    1  N1  UNL     1       2.922   1.139   0.709  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.863   0.217  -0.182  1.00  0.00           C  
HETATM    3  N2  UNL     1       4.020  -0.494  -0.591  1.00  0.00           N  
HETATM    4  N3  UNL     1       1.601  -0.079  -0.755  1.00  0.00           N  
HETATM    5  C2  UNL     1       0.581  -0.773  -0.021  1.00  0.00           C  
HETATM    6  N4  UNL     1       0.880  -1.889   0.548  1.00  0.00           N  
HETATM    7  N5  UNL     1      -0.731  -0.251   0.083  1.00  0.00           N  
HETATM    8  C3  UNL     1      -0.885   1.160   0.290  1.00  0.00           C  
HETATM    9  C4  UNL     1      -2.296   1.634   0.170  1.00  0.00           C  
HETATM   10  O1  UNL     1      -3.127   0.737  -0.479  1.00  0.00           O  
HETATM   11  C5  UNL     1      -3.171  -0.501   0.122  1.00  0.00           C  
HETATM   12  C6  UNL     1      -1.842  -1.165  -0.024  1.00  0.00           C  
HETATM   13  H1  UNL     1       3.803   1.423   1.182  1.00  0.00           H  
HETATM   14  H2  UNL     1       4.801  -0.639   0.081  1.00  0.00           H  
HETATM   15  H3  UNL     1       4.050  -0.856  -1.580  1.00  0.00           H  
HETATM   16  H4  UNL     1       1.345   0.190  -1.733  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.842  -2.287   0.481  1.00  0.00           H  
HETATM   18  H6  UNL     1      -0.241   1.669  -0.476  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.473   1.452   1.285  1.00  0.00           H  
HETATM   20  H8  UNL     1      -2.696   1.918   1.185  1.00  0.00           H  
HETATM   21  H9  UNL     1      -2.303   2.578  -0.412  1.00  0.00           H  
HETATM   22  H10 UNL     1      -3.919  -1.111  -0.439  1.00  0.00           H  
HETATM   23  H11 UNL     1      -3.464  -0.463   1.195  1.00  0.00           H  
HETATM   24  H12 UNL     1      -1.746  -1.924   0.804  1.00  0.00           H  
HETATM   25  H13 UNL     1      -1.812  -1.684  -1.005  1.00  0.00           H  
CONECT    1    2    2   13
CONECT    2    3    4
CONECT    3   14   15
CONECT    4    5   16
CONECT    5    6    6    7
CONECT    6   17
CONECT    7    8   12
CONECT    8    9   18   19
CONECT    9   10   20   21
CONECT   10   11
CONECT   11   12   22   23
CONECT   12   24   25
END
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SMILES for HMDB0254889 (Moroxydine)

NC(=N)NC(=N)N1CCOCC1
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INCHI for HMDB0254889 (Moroxydine)

InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
ABOBChEMBL
SKF 8898-aChEMBL
4-MorpholinocarboximidoylguanidineMeSH
VironilMeSH
VirustatMeSH
Moroxydine monohydrochlorideMeSH
InflumineMeSH
FlumidineMeSH
N-amidino-4-MorpholinecarboxamidineMeSH
MoroxidineMeSH
Chemical FormulaC6H13N5O
Average Molecular Weight171.204
Monoisotopic Molecular Weight171.112010059
IUPAC NameN-(morpholine-4-carboximidoyl)guanidine
Traditional Namevirustat
CAS Registry NumberNot Available
SMILES
NC(=N)NC(=N)N1CCOCC1
InChI Identifier
InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)
InChI KeyKJHOZAZQWVKILO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassGuanidines
Direct ParentBiguanides
Alternative Parents
Substituents
  • Biguanide
  • Oxazinane
  • Morpholine
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Carboximidamide
  • Ether
  • Dialkyl ether
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Imine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.5ALOGPS
logP-1.1ChemAxon
logS-2.1ALOGPS
pKa (Strongest Basic)11.85ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area98.22 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity65.72 m³·mol⁻¹ChemAxon
Polarizability17.32 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+141.97130932474
DeepCCS[M-H]-139.05930932474
DeepCCS[M-2H]-175.5130932474
DeepCCS[M+Na]+151.04830932474
AllCCS[M+H]+137.832859911
AllCCS[M+H-H2O]+133.732859911
AllCCS[M+NH4]+141.732859911
AllCCS[M+Na]+142.832859911
AllCCS[M-H]-136.432859911
AllCCS[M+Na-2H]-137.732859911
AllCCS[M+HCOO]-139.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MoroxydineNC(=N)NC(=N)N1CCOCC12798.1Standard polar33892256
MoroxydineNC(=N)NC(=N)N1CCOCC11625.4Standard non polar33892256
MoroxydineNC(=N)NC(=N)N1CCOCC12017.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Moroxydine,1TMS,isomer #1C[Si](C)(C)NC(=N)NC(=N)N1CCOCC12189.0Semi standard non polar33892256
Moroxydine,1TMS,isomer #1C[Si](C)(C)NC(=N)NC(=N)N1CCOCC11862.7Standard non polar33892256
Moroxydine,1TMS,isomer #1C[Si](C)(C)NC(=N)NC(=N)N1CCOCC13882.3Standard polar33892256
Moroxydine,1TMS,isomer #2C[Si](C)(C)N=C(N)NC(=N)N1CCOCC11993.2Semi standard non polar33892256
Moroxydine,1TMS,isomer #2C[Si](C)(C)N=C(N)NC(=N)N1CCOCC11826.4Standard non polar33892256
Moroxydine,1TMS,isomer #2C[Si](C)(C)N=C(N)NC(=N)N1CCOCC13704.9Standard polar33892256
Moroxydine,1TMS,isomer #3C[Si](C)(C)N(C(=N)N)C(=N)N1CCOCC12073.3Semi standard non polar33892256
Moroxydine,1TMS,isomer #3C[Si](C)(C)N(C(=N)N)C(=N)N1CCOCC11846.7Standard non polar33892256
Moroxydine,1TMS,isomer #3C[Si](C)(C)N(C(=N)N)C(=N)N1CCOCC13706.7Standard polar33892256
Moroxydine,1TMS,isomer #4C[Si](C)(C)N=C(NC(=N)N)N1CCOCC12015.5Semi standard non polar33892256
Moroxydine,1TMS,isomer #4C[Si](C)(C)N=C(NC(=N)N)N1CCOCC11737.9Standard non polar33892256
Moroxydine,1TMS,isomer #4C[Si](C)(C)N=C(NC(=N)N)N1CCOCC13852.2Standard polar33892256
Moroxydine,2TMS,isomer #1C[Si](C)(C)N(C(=N)NC(=N)N1CCOCC1)[Si](C)(C)C2221.2Semi standard non polar33892256
Moroxydine,2TMS,isomer #1C[Si](C)(C)N(C(=N)NC(=N)N1CCOCC1)[Si](C)(C)C1954.1Standard non polar33892256
Moroxydine,2TMS,isomer #1C[Si](C)(C)N(C(=N)NC(=N)N1CCOCC1)[Si](C)(C)C3718.7Standard polar33892256
Moroxydine,2TMS,isomer #2C[Si](C)(C)N=C(NC(=N)N1CCOCC1)N[Si](C)(C)C2102.2Semi standard non polar33892256
Moroxydine,2TMS,isomer #2C[Si](C)(C)N=C(NC(=N)N1CCOCC1)N[Si](C)(C)C1754.5Standard non polar33892256
Moroxydine,2TMS,isomer #2C[Si](C)(C)N=C(NC(=N)N1CCOCC1)N[Si](C)(C)C3743.6Standard polar33892256
Moroxydine,2TMS,isomer #3C[Si](C)(C)NC(=N)N(C(=N)N1CCOCC1)[Si](C)(C)C2136.7Semi standard non polar33892256
Moroxydine,2TMS,isomer #3C[Si](C)(C)NC(=N)N(C(=N)N1CCOCC1)[Si](C)(C)C1906.4Standard non polar33892256
Moroxydine,2TMS,isomer #3C[Si](C)(C)NC(=N)N(C(=N)N1CCOCC1)[Si](C)(C)C3528.5Standard polar33892256
Moroxydine,2TMS,isomer #4C[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C)N1CCOCC12125.8Semi standard non polar33892256
Moroxydine,2TMS,isomer #4C[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C)N1CCOCC11816.5Standard non polar33892256
Moroxydine,2TMS,isomer #4C[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C)N1CCOCC13701.6Standard polar33892256
Moroxydine,2TMS,isomer #5C[Si](C)(C)N=C(N)N(C(=N)N1CCOCC1)[Si](C)(C)C2013.3Semi standard non polar33892256
Moroxydine,2TMS,isomer #5C[Si](C)(C)N=C(N)N(C(=N)N1CCOCC1)[Si](C)(C)C1813.4Standard non polar33892256
Moroxydine,2TMS,isomer #5C[Si](C)(C)N=C(N)N(C(=N)N1CCOCC1)[Si](C)(C)C3563.1Standard polar33892256
Moroxydine,2TMS,isomer #6C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)N1CCOCC11959.0Semi standard non polar33892256
Moroxydine,2TMS,isomer #6C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)N1CCOCC11647.0Standard non polar33892256
Moroxydine,2TMS,isomer #6C[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C)N1CCOCC13666.2Standard polar33892256
Moroxydine,2TMS,isomer #7C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N)[Si](C)(C)C1986.1Semi standard non polar33892256
Moroxydine,2TMS,isomer #7C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N)[Si](C)(C)C1792.3Standard non polar33892256
Moroxydine,2TMS,isomer #7C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N)[Si](C)(C)C3559.8Standard polar33892256
Moroxydine,3TMS,isomer #1C[Si](C)(C)N=C(NC(=N)N1CCOCC1)N([Si](C)(C)C)[Si](C)(C)C2139.2Semi standard non polar33892256
Moroxydine,3TMS,isomer #1C[Si](C)(C)N=C(NC(=N)N1CCOCC1)N([Si](C)(C)C)[Si](C)(C)C1866.2Standard non polar33892256
Moroxydine,3TMS,isomer #1C[Si](C)(C)N=C(NC(=N)N1CCOCC1)N([Si](C)(C)C)[Si](C)(C)C3430.7Standard polar33892256
Moroxydine,3TMS,isomer #2C[Si](C)(C)N(C(=N)N1CCOCC1)C(=N)N([Si](C)(C)C)[Si](C)(C)C2114.8Semi standard non polar33892256
Moroxydine,3TMS,isomer #2C[Si](C)(C)N(C(=N)N1CCOCC1)C(=N)N([Si](C)(C)C)[Si](C)(C)C2059.1Standard non polar33892256
Moroxydine,3TMS,isomer #2C[Si](C)(C)N(C(=N)N1CCOCC1)C(=N)N([Si](C)(C)C)[Si](C)(C)C3257.9Standard polar33892256
Moroxydine,3TMS,isomer #3C[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)N1CCOCC12118.1Semi standard non polar33892256
Moroxydine,3TMS,isomer #3C[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)N1CCOCC11967.4Standard non polar33892256
Moroxydine,3TMS,isomer #3C[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)N1CCOCC13440.5Standard polar33892256
Moroxydine,3TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)N1CCOCC1)[Si](C)(C)C2039.5Semi standard non polar33892256
Moroxydine,3TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)N1CCOCC1)[Si](C)(C)C1880.9Standard non polar33892256
Moroxydine,3TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N)N1CCOCC1)[Si](C)(C)C3253.8Standard polar33892256
Moroxydine,3TMS,isomer #5C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N1CCOCC1)N[Si](C)(C)C2009.8Semi standard non polar33892256
Moroxydine,3TMS,isomer #5C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N1CCOCC1)N[Si](C)(C)C1673.1Standard non polar33892256
Moroxydine,3TMS,isomer #5C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N1CCOCC1)N[Si](C)(C)C3533.3Standard polar33892256
Moroxydine,3TMS,isomer #6C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2051.5Semi standard non polar33892256
Moroxydine,3TMS,isomer #6C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C1941.8Standard non polar33892256
Moroxydine,3TMS,isomer #6C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C3268.9Standard polar33892256
Moroxydine,3TMS,isomer #7C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)N1CCOCC1)[Si](C)(C)C1927.8Semi standard non polar33892256
Moroxydine,3TMS,isomer #7C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)N1CCOCC1)[Si](C)(C)C1678.3Standard non polar33892256
Moroxydine,3TMS,isomer #7C[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C)N1CCOCC1)[Si](C)(C)C3431.1Standard polar33892256
Moroxydine,4TMS,isomer #1C[Si](C)(C)N=C(N(C(=N)N1CCOCC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2112.5Semi standard non polar33892256
Moroxydine,4TMS,isomer #1C[Si](C)(C)N=C(N(C(=N)N1CCOCC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2006.2Standard non polar33892256
Moroxydine,4TMS,isomer #1C[Si](C)(C)N=C(N(C(=N)N1CCOCC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2909.0Standard polar33892256
Moroxydine,4TMS,isomer #2C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1CCOCC12075.9Semi standard non polar33892256
Moroxydine,4TMS,isomer #2C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1CCOCC11764.2Standard non polar33892256
Moroxydine,4TMS,isomer #2C[Si](C)(C)N=C(NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1CCOCC13239.2Standard polar33892256
Moroxydine,4TMS,isomer #3C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2056.4Semi standard non polar33892256
Moroxydine,4TMS,isomer #3C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2101.9Standard non polar33892256
Moroxydine,4TMS,isomer #3C[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2998.6Standard polar33892256
Moroxydine,4TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N1CCOCC1)[Si](C)(C)C1975.2Semi standard non polar33892256
Moroxydine,4TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N1CCOCC1)[Si](C)(C)C1759.8Standard non polar33892256
Moroxydine,4TMS,isomer #4C[Si](C)(C)N=C(N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N1CCOCC1)[Si](C)(C)C2985.4Standard polar33892256
Moroxydine,5TMS,isomer #1C[Si](C)(C)N=C(N1CCOCC1)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2093.7Semi standard non polar33892256
Moroxydine,5TMS,isomer #1C[Si](C)(C)N=C(N1CCOCC1)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1911.7Standard non polar33892256
Moroxydine,5TMS,isomer #1C[Si](C)(C)N=C(N1CCOCC1)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2627.1Standard polar33892256
Moroxydine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NC(=N)N1CCOCC12371.5Semi standard non polar33892256
Moroxydine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NC(=N)N1CCOCC12069.7Standard non polar33892256
Moroxydine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NC(=N)N1CCOCC13937.1Standard polar33892256
Moroxydine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N)NC(=N)N1CCOCC12226.9Semi standard non polar33892256
Moroxydine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N)NC(=N)N1CCOCC11997.1Standard non polar33892256
Moroxydine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(N)NC(=N)N1CCOCC13840.0Standard polar33892256
Moroxydine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=N)N)C(=N)N1CCOCC12256.8Semi standard non polar33892256
Moroxydine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=N)N)C(=N)N1CCOCC12047.5Standard non polar33892256
Moroxydine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=N)N)C(=N)N1CCOCC13778.6Standard polar33892256
Moroxydine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NC(=N)N)N1CCOCC12245.3Semi standard non polar33892256
Moroxydine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NC(=N)N)N1CCOCC11920.5Standard non polar33892256
Moroxydine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NC(=N)N)N1CCOCC13999.3Standard polar33892256
Moroxydine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NC(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C2564.0Semi standard non polar33892256
Moroxydine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NC(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C2338.1Standard non polar33892256
Moroxydine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)NC(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C3640.3Standard polar33892256
Moroxydine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N)N1CCOCC1)N[Si](C)(C)C(C)(C)C2511.9Semi standard non polar33892256
Moroxydine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N)N1CCOCC1)N[Si](C)(C)C(C)(C)C2139.1Standard non polar33892256
Moroxydine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N)N1CCOCC1)N[Si](C)(C)C(C)(C)C3581.2Standard polar33892256
Moroxydine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C2519.4Semi standard non polar33892256
Moroxydine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C2305.2Standard non polar33892256
Moroxydine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C3419.7Standard polar33892256
Moroxydine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C(C)(C)C)N1CCOCC12521.9Semi standard non polar33892256
Moroxydine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C(C)(C)C)N1CCOCC12210.1Standard non polar33892256
Moroxydine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(NC(=N)N[Si](C)(C)C(C)(C)C)N1CCOCC13573.8Standard polar33892256
Moroxydine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C2411.5Semi standard non polar33892256
Moroxydine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C2180.3Standard non polar33892256
Moroxydine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C3586.1Standard polar33892256
Moroxydine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)N1CCOCC12386.9Semi standard non polar33892256
Moroxydine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)N1CCOCC11973.7Standard non polar33892256
Moroxydine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)NC(=N[Si](C)(C)C(C)(C)C)N1CCOCC13728.7Standard polar33892256
Moroxydine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N)[Si](C)(C)C(C)(C)C2390.9Semi standard non polar33892256
Moroxydine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N)[Si](C)(C)C(C)(C)C2176.4Standard non polar33892256
Moroxydine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N)[Si](C)(C)C(C)(C)C3576.6Standard polar33892256
Moroxydine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NC(=N)N1CCOCC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2726.4Semi standard non polar33892256
Moroxydine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NC(=N)N1CCOCC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2395.2Standard non polar33892256
Moroxydine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(NC(=N)N1CCOCC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3363.4Standard polar33892256
Moroxydine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)N1CCOCC1)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2688.3Semi standard non polar33892256
Moroxydine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)N1CCOCC1)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2604.8Standard non polar33892256
Moroxydine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=N)N1CCOCC1)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3253.1Standard polar33892256
Moroxydine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1CCOCC12700.8Semi standard non polar33892256
Moroxydine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1CCOCC12552.8Standard non polar33892256
Moroxydine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1CCOCC13397.8Standard polar33892256
Moroxydine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C2652.5Semi standard non polar33892256
Moroxydine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C2360.5Standard non polar33892256
Moroxydine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C3214.8Standard polar33892256
Moroxydine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)N[Si](C)(C)C(C)(C)C2636.9Semi standard non polar33892256
Moroxydine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)N[Si](C)(C)C(C)(C)C2137.3Standard non polar33892256
Moroxydine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)N[Si](C)(C)C(C)(C)C3416.5Standard polar33892256
Moroxydine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2655.6Semi standard non polar33892256
Moroxydine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2478.6Standard non polar33892256
Moroxydine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3231.6Standard polar33892256
Moroxydine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)[Si](C)(C)C(C)(C)C2558.7Semi standard non polar33892256
Moroxydine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)[Si](C)(C)C(C)(C)C2157.9Standard non polar33892256
Moroxydine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(C(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)[Si](C)(C)C(C)(C)C3505.5Standard polar33892256
Moroxydine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2862.0Semi standard non polar33892256
Moroxydine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2666.6Standard non polar33892256
Moroxydine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(C(=N)N1CCOCC1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3030.4Standard polar33892256
Moroxydine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1CCOCC12854.2Semi standard non polar33892256
Moroxydine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1CCOCC12418.0Standard non polar33892256
Moroxydine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1CCOCC13242.4Standard polar33892256
Moroxydine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2850.9Semi standard non polar33892256
Moroxydine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2812.6Standard non polar33892256
Moroxydine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3093.6Standard polar33892256
Moroxydine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)[Si](C)(C)C(C)(C)C2771.9Semi standard non polar33892256
Moroxydine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)[Si](C)(C)C(C)(C)C2379.0Standard non polar33892256
Moroxydine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N1CCOCC1)[Si](C)(C)C(C)(C)C3062.4Standard polar33892256
Moroxydine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3026.4Semi standard non polar33892256
Moroxydine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2754.3Standard non polar33892256
Moroxydine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N1CCOCC1)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2906.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Moroxydine GC-MS (Non-derivatized) - 70eV, Positivesplash10-002f-9500000000-24254c5bb53323edef5a2017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Moroxydine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Moroxydine LC-ESI-QTOF , positive-QTOFsplash10-00di-0900000000-004f60fe21c1349c00bc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Moroxydine LC-ESI-QTOF , positive-QTOFsplash10-03di-0900000000-6f3ad90ed45ff0426cb32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Moroxydine LC-ESI-QTOF , positive-QTOFsplash10-03di-0900000000-af624a42fcd18dce61562017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Moroxydine 40V, Positive-QTOFsplash10-03di-0900000000-af624a42fcd18dce61562021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Moroxydine 10V, Positive-QTOFsplash10-00di-0900000000-8342350bf4f5c06d1bbd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Moroxydine 20V, Positive-QTOFsplash10-03di-0900000000-6f3ad90ed45ff0426cb32021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 10V, Positive-QTOFsplash10-00di-1900000000-5b6d3001979d30b7c44b2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 20V, Positive-QTOFsplash10-001i-2900000000-74240645be885df24cf72017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 40V, Positive-QTOFsplash10-03di-9100000000-f42a2a600bafedc1aa132017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 10V, Negative-QTOFsplash10-00b9-4900000000-a5c1b688faaa0f8fa3222017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 20V, Negative-QTOFsplash10-002r-9700000000-3ec8d9e12bc24f2a3d4d2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 40V, Negative-QTOFsplash10-052f-9100000000-dfca22b19f4579b481e82017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 10V, Negative-QTOFsplash10-00bc-4900000000-b72f8dfa35cddae94fcf2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 20V, Negative-QTOFsplash10-03di-5900000000-3234c087167d73a9d20c2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Moroxydine 40V, Negative-QTOFsplash10-0006-9000000000-cff2e0f7074e49131a612021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB13597
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID64715
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMoroxydine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]