Diallylnormorphinium bromide
(4R,4aR,7S,7aR,12bS)-3,3-bis(prop-2-enyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol bromide
Also Known As: Diallylnormorphine|Diallylnormorphinium bromide|(4R,4aR,7S,7aR,12bS)-3,3-bis(prop-2-enyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;bromide|Morphinanium, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17,17-di-2-propenyl-, bromide, (5alpha,6alpha)-
| Molecular Formula | C22H26BrNO3 |
|---|---|
| Molecular Weight | 431.10962 g/mol |
| LogP | -0.5409 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.10962 |
| Monoisotopic Mass | 431.10962 |
| Heavy Atoms | 27 |
| Complexity | 825.092 |
Chemical Identifiers
| CAS Number | 69576-07-4 |
|---|---|
| SMILES | C=CC[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)CC=C.[Br-] |
Product Overview
Diallylnormorphinium bromide (CAS 69576-07-4), with molecular formula C22H26BrNO3 and molecular weight 431.10962 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-3,3-bis(prop-2-enyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol bromide.
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