Products 119302-22-6

CAS 119302-22-6 appears in our catalog under these names: Rocuronium Bromide Impurity 31, Rocuronium bromide Impurity 54, Desallyl Rocuronium Diacetate. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg, 10mg, 50mg.

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS 119302-22-6) is a chemical compound with the molecular formula C31H50N2O5 and a molecular weight of 530.7 g/mol. IUPAC name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate. InChIKey: LVJSVTWBHUSYSZ-OBIZLECESA-N.

Identity
Molecular formulaC31H50N2O5
Molecular weight530.7 g/mol
IUPAC name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChIKeyLVJSVTWBHUSYSZ-OBIZLECESA-N
SMILESCC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCOCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CCCC6)C

Computed by PubChem (NCBI)