Products 1145787-10-5

CAS 1145787-10-5 is the registry number for Rocuronium Bromide Impurity 8. Offered by: Chemat Brand. Available pack sizes: on request.

Rocuronium Bromide Impurity 8
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3R,5S,8R,9S,10S,13S,14S,16S,17R)-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]phenanthrene-3,17-diol (CAS 1145787-10-5) is a chemical compound with the molecular formula C27H46N2O3 and a molecular weight of 446.7 g/mol. IUPAC name: (2S,3R,5S,8R,9S,10S,13S,14S,16S,17R)-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]phenanthrene-3,17-diol. InChIKey: YKHDYPFPUAWBIW-LAIIJSNCSA-N.

Identity
Molecular formulaC27H46N2O3
Molecular weight446.7 g/mol
IUPAC name(2S,3R,5S,8R,9S,10S,13S,14S,16S,17R)-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]phenanthrene-3,17-diol
InChIKeyYKHDYPFPUAWBIW-LAIIJSNCSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)N4CCCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@@H](C5)O)N6CCOCC6)C

Computed by PubChem (NCBI)

Synonyms: Rocuronium Bromide Impurity 72
Isomers (same molecular formula)
(2R,3R,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-3-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]phenanthrene-2,17-diol C27H46N2O3