CAS 73319-13-8 3-Desacetyl Vecuronium Bromide - Analytical Products / Alfa Chemistry

CAT	APS73319138
CAS	73319-13-8
Structure
Synonyms	Piperidinium, 1-[(2β,3α,5α,16β,17β)-17-(acetyloxy)-3-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide (9CI), 3-Hydroxyvecuronium bromide, 3-Desacetyl Vecuronium Bromide, Org 7268, Vecuronium Bromide Related Compound F (USP),Piperidinium, 1-[(2β,3α,5α,16β,17β)-17-(acetyloxy)-3-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide (1:1)
IUPAC Name	[(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
Molecular Weight	595.6947
Molecular Formula	C32H55N2O3.Br
Canonical SMILES	[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N5CCCCC5)[N+]6(C)CCCCC6
InChI	InChI=1S/C32H55N2O3.BrH/c1-22(35)37-30-28(34(4)17-9-6-10-18-34)20-26-24-12-11-23-19-29(36)27(33-15-7-5-8-16-33)21-32(23,3)25(24)13-14-31(26,30)2;/h23-30,36H,5-21H2,1-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1