Basic information
- CAS
60723-51-5- Standard SMILES
COc1cc2c(cc1OC)C13CC[N+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34.[I-]- InChIKey
XXBUCRHLHDTNBE-NQHNEVSSSA-M- Molecular formula
- C24H29IN2O4
- Average molar mass
- 536.4 g/mol
- Monoisotopic mass
- 536.11721
Names & identifiers
- Preferred name
- 2,3-Dimethoxy-19-methyl-10-oxostrychnidin-19-ium iodide
- IUPAC
- (4aR,5aS,13aS,15aS,15bR)-10,11-dimethoxy-6-methyl-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-6-ium-14-one iodide
Names & synonyms
60723-51-5DTXSID309761632,3-Dimethoxy-19-methyl-10-oxostrychnidin-19-ium iodideRefChem:1059451DTXCID101403543Brucine iodomethylateBrucine, methiodideBrucine iodomethyleBrucine iodomethyle [French]
Database identifiers
- CAS
60723-51-5- PubChem CID
- 3045440
- DTXSID
DTXSID30976163
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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