CAS 916045-21-1 appears in our catalog under these names: 17S-Naltrexone Methobromide, Naltrexone Impurity 11, (S)-N-Methyl Naltrexone Bromide, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg, 1mg.
(3S,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide (CAS 916045-21-1) is a chemical compound with the molecular formula C21H26BrNO4 and a molecular weight of 436.3 g/mol. IUPAC name: (3S,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide. InChIKey: IFGIYSGOEZJNBE-LHJYHSJWSA-N.
| Molecular formula | C21H26BrNO4 |
|---|---|
| Molecular weight | 436.3 g/mol |
| IUPAC name | (3S,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide |
| InChIKey | IFGIYSGOEZJNBE-LHJYHSJWSA-N |
| SMILES | C[N@+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-] |
Computed by PubChem (NCBI)