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Substance Name: Piperidinium, 1-(3-alpha-hydroxy-17-beta-(1-methylpyrrolidinio)-5-alpha-androstan-2-beta-yl)-1-methyl-, dibromide
RN: 50588-14-2
InChIKey: MMPZFFYAMPNLOC-VMLLADFXSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H56-N2-O2.2Br

Molecular Weight

  • 660.6144
 
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Names and Synonyms

  • Piperidinium, 1-(3-alpha-hydroxy-17-beta-(1-methylpyrrolidinio)-5-alpha-androstan-2-beta-yl)-1-methyl-, dibromide

Registry Numbers

CAS Registry Number

  • 50588-14-2

System Generated Number

  • 0050588142

Molecular Formulas

Molecular Formula

  • C32-H56-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C32-H56-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C32H56N2O2.2BrH/c1-23(35)36-29-21-24-11-12-25-26-13-14-30(34(5)19-9-10-20-34)31(26,2)16-15-27(25)32(24,3)22-28(29)33(4)17-7-6-8-18-33;;/h24-30H,6-22H2,1-5H3;2*1H/q+2;;/p-2/t24-,25-,26-,27-,28-,29-,30-,31-,32-;;/m0../s1

InChIKey

MMPZFFYAMPNLOC-VMLLADFXSA-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(CCCC6)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1840ug/kg (1.84mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.