Basic information
- Standard SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21.c1ccc(CNCc2ccccc2)cc1- InChIKey
FRNAGWIEVWLQQF-IYNICTALSA-N- Molecular formula
- C37H51NO7
- Average molar mass
- 621.8 g/mol
Names & identifiers
- Preferred name
- Pravastatin dibenzylamine
- IUPAC
- (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;N-benzyl-1-phenylmethanamine
Names & synonyms
pravastatin dibenzylamineSCHEMBL6928331FRNAGWIEVWLQQF-IYNICTALSA-N
Database identifiers
- PubChem CID
- 69940150
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 793
Related reactions
6 records
Compound notes
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