(4aR,5aS,8aR,13aS,15aS,15bR)-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;dimethylarsinic acid
Basic information
- CAS
10476-87-6- Standard SMILES
C[As](C)(=O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46- InChIKey
PWRJKMMPKSLKOH-ZEYGOCRCSA-N- Molecular formula
- C23H29AsN2O4
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.134327
Names & identifiers
- Preferred name
- (4aR,5aS,8aR,13aS,15aS,15bR)-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;dimethylarsinic acid
- IUPAC
- (4aR,5aS,8aR,13aS,15aS,15bR)-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;dimethylarsinic acid
- English name
- STRYCHNINE CACODYLATE
- Molecular formula
- C23H29AsN2O4
- Molecular weight
- 472.42
Names & synonyms
NS00086341STRYCHNINE CACODYLATEstrychnine dimethylarsinateStrychnidin-10-one, mono(dimethylarsinate) (9CI)
Database identifiers
- CAS
10476-87-6- PubChem CID
- 92043987
Properties
Computed structural properties
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- REACH Annex XVII Substances List
- Strychnine dimethylarsinate (10476-87-6)
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Compound notes
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