Bulbocapnine methiodide
(12S)-17-methoxy-11,11-dimethyl-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol iodide
Also Known As: Bulbocapnine methiodide|N-Methylbulbocapninium iodide|6a-alpha-Aporphinium, 11-hydroxy-6-methyl-10-methoxy-1,2-(methylenedioxy)-, iodide|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolinium, 6,7,7a,8-tetrahydro-12-hydroxy-11-methoxy-7-methyl-, iodide, (S)-
| Molecular Formula | C20H22INO4 |
|---|---|
| Molecular Weight | 467.05936 g/mol |
| LogP | 0.0302 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 467.05936 |
| Monoisotopic Mass | 467.05936 |
| Heavy Atoms | 26 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 5787-06-4 |
|---|---|
| SMILES | C[N+]1(CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3)C.[I-] |
| InChIKey | WLDVNQXUNGUNAF-ZOWNYOTGSA-N |
Product Overview
Bulbocapnine methiodide (CAS 5787-06-4), with molecular formula C20H22INO4 and molecular weight 467.05936 g/mol. IUPAC: (12S)-17-methoxy-11,11-dimethyl-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol iodide.
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