Basic information
- CAS
5096-72-0- Standard SMILES
CO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7C1(CCN2C4)[C@@H]6[C@H]53- InChIKey
BMDMNLBIKSAWCI-YSSRSQPBSA-N- Molecular formula
- C22H24N2O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.17869263
Names & identifiers
- Preferred name
- Strychnidin-10-one, 16-methoxy-
- IUPAC
- (4aR,5aR,13aS,15aS,15bR)-5a-methoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Names & synonyms
Strychnidin-10-one, 16-methoxy-RefChem:1099103Pseudostrychnine methyl ether16-Methoxystrychnidin-10-onePseudostrychnine, O-methyl-Strychnine, 16-methoxy-NSC 118070(4aR,5aR,13aS,15aS,15bR)-5a-methoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Database identifiers
- CAS
5096-72-0- PubChem CID
- 199843
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 752
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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