Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide, monohydrate

CAS Registry Number®

22189-36-2

CAS Name

Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide, monohydrate

Molecular Formula

C35H60N2O4.2Br.H2O

Cite this Page

Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide, monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22189-36-2 (retrieved 2024-12-28) (CAS RN: 22189-36-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H60N2O4.2BrH.H2O/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;;/h26-33H,7-23H2,1-6H3;2*1H;1H2/q+2;;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;;/m0.../s1

InChIKey

InChIKey=KSNRANIFOPUVTD-CVPFSWIZSA-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]2OC(C)=O)[N+]6(C)CCCCC6)[H].[Br-].O

Canonical SMILES

[Br-].O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)C)C(CC34)[N+]5(C)CCCCC5)C2(C)CC1[N+]6(C)CCCCC6)C.O

Other Names for this Substance

  • Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide, monohydrate
  • Piperidinium, 1,1′-(3α,17β-dihydroxy-5α-androstan-2β,16β-ylene)bis[1-methyl-, dibromide, diacetate, monohydrate
  • Androstane, piperidinium deriv.

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