Products 2139240-60-9

CAS 2139240-60-9 appears in our catalog under these names: Pseudohydromorphone (1mg/ml in Acetonitrile), Pseudohydromorphone, >95% (HPLC). Offered by: TRC. Available pack sizes: 1x1ml, 10mg, 1mg.

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

(4R,4aR,7aR,12bS)-10-[(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one (CAS 2139240-60-9) is a chemical compound with the molecular formula C34H36N2O6 and a molecular weight of 568.7 g/mol. IUPAC name: (4R,4aR,7aR,12bS)-10-[(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one. InChIKey: SDOMGTNHSREGJN-MSLLCSOGSA-N.

Identity
Molecular formulaC34H36N2O6
Molecular weight568.7 g/mol
IUPAC name(4R,4aR,7aR,12bS)-10-[(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
InChIKeySDOMGTNHSREGJN-MSLLCSOGSA-N
SMILESCN1CC[C@]23[C@@H]4[C@H]1CC5=CC(=C(C(=C52)O[C@H]3C(=O)CC4)O)C6=C(C7=C8C(=C6)C[C@@H]9[C@H]1[C@]8(CCN9C)[C@@H](O7)C(=O)CC1)O

Computed by PubChem (NCBI)