Bromocodeine
(4R,4aR,7S,7aR,12bS)-11-bromo-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Also Known As: Bromocodeine|Codeine, bromo-|Codeine,bromo|2-27-00-00170 (Beilstein Handbook Reference)|Morphinan-3,6-alpha-diol, 1-bromo-7,8-didehydro-4,5-alpha-epoxy-17-methyl-|(5R,6S)-1-Bromo-7,8-didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol|1-Bromo-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-3,6alpha-diol|1-Bromo-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol|1-Bromo-7,8-didehydro-4,5alpha-epoxy-17-methylmorphinan-3,6alpha-diol|Morphinan-3,6-diol, 1-bromo-7,8-didehydro-4,5-epoxy-17-methyl-, (5.alpha.,6.alpha.)-|(1S,5R,13R,14S,17R)-8-bromo-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraene-10,14-diol|(4R,4aR,7S,7aR,12bS)-11-bromo-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
| Molecular Formula | C17H18BrNO3 |
|---|---|
| Molecular Weight | 363.047 g/mol |
| LogP | 1.9606 |
| Topological Polar Surface Area | 52.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.047 |
| Monoisotopic Mass | 363.047 |
| Heavy Atoms | 22 |
| Complexity | 718.3459 |
Chemical Identifiers
| CAS Number | 49751-17-9 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C(C=C(C(=C52)O[C@H]3[C@H](C=C4)O)O)Br |
Product Overview
Bromocodeine (CAS 49751-17-9), with molecular formula C17H18BrNO3 and molecular weight 363.047 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-11-bromo-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol.