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CAS 50587-95-6

:

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

Description:
Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide, with CAS number 50587-95-6, is a quaternary ammonium compound characterized by its piperidinium structure, which includes a piperidine ring substituted with a steroid moiety. This compound features a steroid backbone that is modified with an acetyloxy group and a hydroxy group, contributing to its potential biological activity. The presence of the bromide ion indicates that it is a salt, which can influence its solubility and stability in various solvents. Typically, such compounds may exhibit pharmacological properties, potentially acting as ligands for steroid receptors or influencing biological pathways. The structural complexity suggests that it may have specific interactions with biological systems, making it of interest in medicinal chemistry and pharmacology. However, detailed studies would be necessary to elucidate its specific properties, mechanisms of action, and potential applications in therapeutic contexts.
Formula:C32H55N2O3·Br
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
InChI key: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-]
Synonyms:
  • 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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