Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide

CAS Registry Number®

50587-95-6

CAS Name

Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide

Molecular Formula

C32H55N2O3.Br

Cite this Page

Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50587-95-6 (retrieved 2024-11-22) (CAS RN: 50587-95-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H55N2O3.BrH/c1-22(35)37-29-19-23-11-12-24-25(32(23,3)21-27(29)33-15-7-5-8-16-33)13-14-31(2)26(24)20-28(30(31)36)34(4)17-9-6-10-18-34;/h23-30,36H,5-21H2,1-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1

InChIKey

InChIKey=XPLMFSDSQRHLDG-FMCCZJBLSA-M

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@H](C4)N5CCCCC5)[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)CC1N6CCCCC6)C

Other Names for this Substance

  • Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide
  • Androstane, piperidinium deriv.
  • Org-NC 58

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