Products 13492-57-4

CAS 13492-57-4 is the registry number for Rocuronium Bromide Impurity 61. Offered by: Chemat Brand. Available pack sizes: on request.

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

(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-dimorpholin-4-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one (CAS 13492-57-4) is a chemical compound with the molecular formula C27H44N2O4 and a molecular weight of 460.6 g/mol. IUPAC name: (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-dimorpholin-4-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one. InChIKey: QTJSDJIHJSGVEU-OQDOMALVSA-N.

Identity
Molecular formulaC27H44N2O4
Molecular weight460.6 g/mol
IUPAC name(2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-dimorpholin-4-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
InChIKeyQTJSDJIHJSGVEU-OQDOMALVSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)N4CCOCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C

Computed by PubChem (NCBI)