Vecuronium Bromide EP Impurity E

cas: 50587-95-6 — see every product listed under this CAS number, including other names

Vecuronium Bromide EP Impurity E (CAS 50587-95-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-V050305
cas50587-95-6
sizeon request
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Structural formula: {0} (CAS {1})

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-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 50587-95-6) is a chemical compound with the molecular formula C32H55BrN2O3 and a molecular weight of 595.7 g/mol. IUPAC name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-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: XPLMFSDSQRHLDG-FMCCZJBLSA-M.

Identity
Molecular formulaC32H55BrN2O3
Molecular weight595.7 g/mol
IUPAC name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-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
InChIKeyXPLMFSDSQRHLDG-FMCCZJBLSA-M
SMILESCC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C.[Br-]

Computed by PubChem (NCBI)

Synonyms: 17-Deacetyl vecuronium bromide, 17-hydroxyvecuronium, 17-Deacetylvecuronium, 3-Desacetyl Vecuronium, Vecuronium Bromide EP Impurity E, Vecuronium EP Impurity E, Org NC 58
Isomers (same molecular formula)
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide C32H55BrN2O3

Also listed as

Vecuronium Bromide EP Impurity E Bromide (Vecuronium Bromide USP Related Compound B) Chemat Brand CAS 50587-95-6
Vecuronium Bromide Impurity 5(Vecuronium Bromide EP Impurity E) Hubei YoungXin CAS 50587-95-6
1-((2beta,3alpha,5alpha,16beta,17beta)-3-(Acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl)-1-methylpiperidinium Bromide TRC CAS 50587-95-6
Vecuronium bromide Related Compound B Biosynth CAS 50587-95-6