Products 1190105-63-5

CAS 1190105-63-5 appears in our catalog under these names: Rocuronium Bromide EP Impurity D Bromide, Rocuronium Bromide EP Impurity D, Rocuronium Bromide Impurity 4(Rocuronium Bromide EP Impurity D), 3-Acetyl-17-deacetyl Rocuronium Bromide, >95% (HPLC), Rocuronium impurity D. Offered by: Chemat Brand, Hubei YoungXin, TRC, Biosynth, Chemat. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

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

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide (CAS 1190105-63-5) is a chemical compound with the molecular formula C32H53BrN2O4 and a molecular weight of 609.7 g/mol. IUPAC name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide. InChIKey: BZQOUFUQMYPWEW-FMCCZJBLSA-M.

Identity
Molecular formulaC32H53BrN2O4
Molecular weight609.7 g/mol
IUPAC name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
InChIKeyBZQOUFUQMYPWEW-FMCCZJBLSA-M
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]5O)[N+]6(CCCC6)CC=C)C.[Br-]

Computed by PubChem (NCBI)