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
Shipping Conditions
Room Temperature
Storage Conditions
+4°C
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