CAS Registry Number®
27115-86-2
CAS Name
Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxyandrostane-2,16-diyl]bis[1-methyl-, dibromide
Molecular Formula
C33H58N2O3.2Br
Other Names and Identifiers
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
InChIKey
InChIKey=SUKULMJPMHYWKC-GMMLHHOXSA-L
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@H](C4)[N+]5(C)CCCCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)[N+]6(C)CCCCC6)[H].[Br-]
Canonical SMILES
[Br-].O=C(OC1CC2CCC3C(CCC4(C)C(O)C(CC34)[N+]5(C)CCCCC5)C2(C)CC1[N+]6(C)CCCCC6)C
Other Names for this Substance
- Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxyandrostane-2,16-diyl]bis[1-methyl-, dibromide
- Piperidinium, 1,1′-(3α,17β-dihydroxy-5α-androstan-2β,16β-ylene)bis[1-methyl-, dibromide, 3-acetate
- Androstane, piperidinium deriv.
- Dacuronium bromide
- 1,1′-[(2β,3α,5α,16β,17β)-3-(Acetyloxy)-17-hydroxyandrostane-2,16-diyl]bis[1-methylpiperidinium]dibromide
Deleted or Replaced CAS Registry Numbers
27115-87-3, 73319-27-4
