Vatanidipine, (S)-
Basic information
- CAS
134028-04-9- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1- InChIKey
OTTHUQAYARCXLP-LHEWISCISA-N- Molecular formula
- C41H42N4O6
- Average molar mass
- 686.8 g/mol
- Monoisotopic mass
- 686.31043507
Names & identifiers
- Preferred name
- Vatanidipine, (S)-
- IUPAC
- 5-O-[2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]ethyl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
Vatanidipine, (S)-NFC42BIS8DUNII-NFC42BIS8D134028-04-93,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, (S)-3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl) 5-methyl ester, (4S)-
Database identifiers
- CAS
134028-04-9- PubChem CID
- 9853600
- UNII
- NFC42BIS8D
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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