Basic information
- Standard SMILES
CC[C@@]12C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42.COS(=O)(=O)[O-]- InChIKey
CPMSFHQRMSSODD-DGXMUYMBSA-M- Molecular formula
- C22H27N2O6S-
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- Apovincamine methylsulfate
- IUPAC
- methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate;methyl sulfate
Names & synonyms
Apovincamine methylsulfateCPMSFHQRMSSODD-DGXMUYMBSA-M
Database identifiers
- PubChem CID
- 86736091
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- -1
- Complexity
- 693
Related reactions
1 records
Compound notes
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