Basic information
- CAS
134250-41-2- Standard SMILES
O=C1C[C@@H]2OCC(O)=C3CN4CCC56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46- InChIKey
DHNSIKSFKOEIIE-ILZATJAISA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.16304257
Overview
structure given in first source; metabolite of strychnine
Names & identifiers
- Preferred name
- 22-Hydroxystrychnine
- IUPAC
- (4aR,5aS,13aS,15aS,15bR)-3-hydroxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
- English name
- 22-hydroxystrychnine
- Molecular formula
- C21H22N2O3
- Molecular weight
- 350.41
Names & synonyms
22-Hydroxystrychnine134250-41-2Strychnidin-10-one, 22-hydroxy-RefChem:8972122-hydroxystrychnidin-10-oneDTXSID70928545(4aR,5aS,13aS,15aS,15bR)-3-hydroxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Database identifiers
- CAS
134250-41-2- PubChem CID
- 196866
- DTXSID
DTXSID70928545
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 735
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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