Products 109648-80-8

CAS 109648-80-8 appears in our catalog under these names: Hydromorphone N-Oxide, >95% (HPLC), Hydromorphone N-oxide hydrochloride. Offered by: TRC, Biosynth. Available pack sizes: 50mg, 5mg, 1mg, 2mg, 25mg, 10mg.

Structural formula: {0} (CAS {1})

(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-3-oxido-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one (CAS 109648-80-8) is a chemical compound with the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. IUPAC name: (4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-3-oxido-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one. InChIKey: XDOZFXQPRPKZLY-FQFYJRTASA-N.

Identity
Molecular formulaC17H19NO4
Molecular weight301.34 g/mol
IUPAC name(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-3-oxido-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one
InChIKeyXDOZFXQPRPKZLY-FQFYJRTASA-N
SMILESC[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4)[O-]

Computed by PubChem (NCBI)