Basic information
- CAS
15006-14-1- Standard SMILES
O=C1C[C@@H]2OCC[C@@H]3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46- InChIKey
LUMNFZCZEDAQNJ-QDPSZFTISA-N- Molecular formula
- C21H24N2O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.18377801
Names & identifiers
- Preferred name
- (21alpha)-21,22-Dihydrostrychnidin-10-one
- IUPAC
- (4S,4aS,5aS,8aR,13aS,15aS,15bR)-3,4,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Names & synonyms
15006-14-1RefChem:1049735(21alpha)-21,22-Dihydrostrychnidin-10-one21,22-DihydrostrychnineDihydrostrychnine21-alpha,22-Dihydrostrychnidin-10-oneStrychnine, 21,22-dihydro-(21-alpha)-21,22-Dihydrostrychnidin-10-oneStrychnidin-10-one, 21,22-dihydro-, (21-alpha)-(4S,4aS,5aS,8aR,13aS,15aS,15bR)-3,4,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Database identifiers
- CAS
15006-14-1- PubChem CID
- 84751
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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