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Substance Name: Piperidinium, 1,1'-(3-alpha-hydroxy-5-alpha-androstan-2-beta,17-beta-ylene)bis(1-methyl-, dibromide, acetate (ester)
RN: 50700-74-8
InChIKey: DUDRERIMQBYKSG-LBLTZMEUSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H58-N2-O2.2Br

Molecular Weight

  • 674.6412
 
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Names and Synonyms

  • Piperidinium, 1,1'-(3-alpha-hydroxy-5-alpha-androstan-2-beta,17-beta-ylene)bis(1-methyl-, dibromide, acetate (ester)

Registry Numbers

CAS Registry Number

  • 50700-74-8

System Generated Number

  • 0050700748

Molecular Formulas

Molecular Formula

  • C33-H58-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C33-H58-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C33H58N2O2.2BrH/c1-24(36)37-30-22-25-12-13-26-27-14-15-31(35(5)20-10-7-11-21-35)32(27,2)17-16-28(26)33(25,3)23-29(30)34(4)18-8-6-9-19-34;;/h25-31H,6-23H2,1-5H3;2*1H/q+2;;/p-2/t25-,26-,27-,28-,29-,30-,31-,32-,33-;;/m0../s1

InChIKey

DUDRERIMQBYKSG-LBLTZMEUSA-L

Smiles

CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(C[C@@H]1[N+]5(CCCCC5)C)C)C)[N+]6(CCCCC6)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2850ug/kg (2.85mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.