Products 1338713-49-7

CAS 1338713-49-7 appears in our catalog under these names: Heroin-d9, >95% (HPLC), Heroin-D9 (3,6-Diacetylmorphine-D9), Heroin-D9 (3,6-Diacetylmorphine-D9), 0.1mg/ml in Acetonitrile, Heroin-D9 (3,6-Diacetylmorphine-D9), 1mg/ml in Acetonitrile, Heroin-D9 (Diacetylmorphine-D9) 0.1 mg/ml in Acetonitrile. Offered by: TRC, Lipomed, LoGiCal, GLPBio, Biosynth. Available pack sizes: 10mg, 1mg, 5mg, 50mg, 100mg, 1ml, 25g, 10g.

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

[(4R,4aR,7S,7aR,12bS)-9-(2,2,2-trideuterioacetyl)oxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2,2,2-trideuterioacetate (CAS 1338713-49-7) is a chemical compound with the molecular formula C21H23NO5 and a molecular weight of 378.5 g/mol. IUPAC name: [(4R,4aR,7S,7aR,12bS)-9-(2,2,2-trideuterioacetyl)oxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2,2,2-trideuterioacetate. InChIKey: GVGLGOZIDCSQPN-OYCCCKEBSA-N.

Identity
Molecular formulaC21H23NO5
Molecular weight378.5 g/mol
IUPAC name[(4R,4aR,7S,7aR,12bS)-9-(2,2,2-trideuterioacetyl)oxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2,2,2-trideuterioacetate
InChIKeyGVGLGOZIDCSQPN-OYCCCKEBSA-N
SMILES[2H]C([2H])([2H])C(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C([2H])([2H])[2H])CCN3C([2H])([2H])[2H]

Computed by PubChem (NCBI)