14-Hydroxycodeinone crotonate
[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] (E)-but-2-enoate
Also Known As: 14-Hydroxycodeinone crotonate|Codeinone, 14-hydroxy-, crotonate|Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, crotonate (ester)
CAS: 748-36-7
| Molecular Formula | C22H23NO5 |
|---|---|
| Molecular Weight | 381.15762 g/mol |
| LogP | 1.9512 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.15762 |
| Monoisotopic Mass | 381.15762 |
| Heavy Atoms | 28 |
| Complexity | 950.49066 |
Chemical Identifiers
| CAS Number | 748-36-7 |
|---|---|
| SMILES | C/C=C/C(=O)O[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)OC)O3)C |
Product Overview
14-Hydroxycodeinone crotonate (CAS 748-36-7), with molecular formula C22H23NO5 and molecular weight 381.15762 g/mol. IUPAC: [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] (E)-but-2-enoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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