Emetine bismuth iodide
Basic information
- CAS
8001-15-8- Standard SMILES
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.[Bi+3].[I-].[I-].[I-]- InChIKey
VHDMKRGRHURPJE-ZRORTGKGSA-K- Molecular formula
- C29H40BiI3N2O4
- Average molar mass
- 1,070.3 g/mol
- Monoisotopic mass
- 1,069.9926
Names & identifiers
- Preferred name
- Emetine bismuth iodide
- IUPAC
- bismuth;(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;triiodide
Names & synonyms
Emetine bismuth iodide8001-15-8RefChem:1084079Bismuth emetine iodideEmetine triiodobismuth(III)NSC 44185Emetine, bismuth iodide deriv.Bismuth, triiodo(6',7',10,11-tetramethoxyemetan)-
Database identifiers
- CAS
8001-15-8- PubChem CID
- 82268
Properties
Computed structural properties
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 679
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Related reactions
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Compound notes
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