Dacuronium Bromide

Product Specifications

CAS Number

27115-86-2

Synonyms

Piperidinium, 1,1'-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxyandrostane-2,16-diyl]bis[1-methyl-, dibromide (9CI); Piperidinium, 1,1'-(3α,17β-dihydroxy-5α-androstan-2β,16β-ylene)bis[1-methyl-, dibromide, 3-acetate (8CI); Androstane, piperidinium deriv.; 1,1'-[(2β,3α,5α,16β,17β)-3-(Acetyloxy)-17-hydroxyandrostane-2,16-diyl]bis[1-methylpiperidinium]dibromide; Dacuronium bromide

Hazard Statement

Harmful if swallowed.

Smiles

[Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@H](C[C@@H]34)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1[N+]6(C)CCCCC6

Molecular Formula

C33 H58 N2 O3 . 2 Br

Molecular Weight

690.63

InChI

InChI=1S/C33H58N2O3.2BrH/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-;;/m0../s1

Additionnal Information

IUPAC name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide