1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide

Catalog No. :: ACYKJQ011
CAS No. :: 50587-95-6
Molecular Formula :: C32H55BrN2O3
Molecular Weight :: 595.71

IUPAC Name:1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide

1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide structure diagram

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Product Information

Product Name	1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide
IUPAC Name	1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide
Molecular Formula	C32H55BrN2O3
Molecular Weight	595.71
SMILES	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@@H]([N+]5(C)CCCCC5)C[C@@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-]
InChI Key	XPLMFSDSQRHLDG-FMCCZJBLSA-M
Synonym	17-deacetylvecuronium;1-[(2beta,3alpha,5alpha,16beta,17beta)-3-(Acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methylpiperidinium bromide;VecuroniuM BroMide Related CoMpound B;Vecuronium EP Impurity E;Vecuronium Bromide Impurity 5(Vecuronium Bromide EP Impurity E);Vecuronium bromide related substance B;Vecuronium Bromide EP Impurity E;1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide
CAS No.	50587-95-6

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ACYKJQ01150587-95-6

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ACYKJQ01150587-95-6

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1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide

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1. ACYKJQ011 Molecular Building Block Synthetic Route

2. ACYKJQ011 Molecular Building Block Synthetic Route

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1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide

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Dacuronium

1,1'-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-Diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium) bromide

1-((2S,3S,5S,10S,13S,16S,17R)-3,17-Diacetoxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide

Org 9616

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