Basic information
- CAS
34403-90-2- Standard SMILES
COc1cc2c(cc1OC)[C@@]13CCN4CC5CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43- InChIKey
BETNIDISFVHOSJ-KIDVFHKFSA-N- Molecular formula
- C23H28N2O4
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.20490738
Names & identifiers
- Preferred name
- Strychnidin-10-one, 21,22-dihydro-2,3-dimethoxy-
- IUPAC
- (4aS,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-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
21,22-DihydrobrucineStrychnidin-10-one, 21,22-dihydro-2,3-dimethoxy-NSC 72917BRN 010232834403-90-221,22-Dihydro-2,3-dimethoxystrychnidin-10-one2-27-00-00795 (Beilstein Handbook Reference)RefChem:382326NSC72917
Database identifiers
- CAS
34403-90-2- PubChem CID
- 73531
- Nikkaji
- J1.583.832I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 732
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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