Products 71539-52-1

CAS 71539-52-1 appears in our catalog under these names: Oxycodone N-Oxide, >95% (HPLC), Oxycodone N-Oxide (1.0mg/ml in Methanol), Oxycodone N-Oxide. Offered by: TRC, Mikromol, Biosynth. Available pack sizes: 100mg, 10mg, 1x1ml, 50mg, 25mg.

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

(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-3-oxido-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one (CAS 71539-52-1) is a chemical compound with the molecular formula C18H21NO5 and a molecular weight of 331.4 g/mol. IUPAC name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-3-oxido-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one. InChIKey: GXMDLXQESSRSFB-ZWKGOLINSA-N.

Identity
Molecular formulaC18H21NO5
Molecular weight331.4 g/mol
IUPAC name(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-3-oxido-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one
InChIKeyGXMDLXQESSRSFB-ZWKGOLINSA-N
SMILESC[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)[O-]

Computed by PubChem (NCBI)