Products 122483-73-2

CAS 122483-73-2 appears in our catalog under these names: Rocuronium Bromide EP Impurity B, Rocuronium Bromide EP Impurity B Bromide, 3-Acetyl Rocuronium Bromide, >95% (HPLC), 3–Acetyl Rocuronium Bromide, 3-Acetyl rocuronium bromide. Offered by: Chemat Brand, TRC, GLPBio, Biosynth, Chemat. Available pack sizes: on request, 500mg, 50mg, 100mg, 10mg, 25mg, 250mg.

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

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-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 (CAS 122483-73-2) is a chemical compound with the molecular formula C34H55N2O5+ and a molecular weight of 571.8 g/mol. IUPAC name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-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. InChIKey: YTOBUTQXJPRYPH-XQIGCQGXSA-N.

Identity
Molecular formulaC34H55N2O5+
Molecular weight571.8 g/mol
IUPAC name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-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
InChIKeyYTOBUTQXJPRYPH-XQIGCQGXSA-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)[N+]6(CCCC6)CC=C)C

Computed by PubChem (NCBI)