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Substance Name: Piperidinium, 1-(3-alpha-acetoxy-17-oxo-2-beta-piperidino-5-alpha-androstan-16-beta-yl)-1-methyl-, bromide
RN: 50587-93-4
InChIKey: NTJLDTOFIAZONV-VLENUTSUSA-M

Molecular Formula

  • C32-H53-N2-O3.Br

Molecular Weight

  • 593.6857
 
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Names and Synonyms

Synonym

  • 5-alpha-Androstan-17-one, 3-alpha-acetoxy-16-beta-pipecolinio-2-beta-piperidino-, bromide

Systematic Name

  • Piperidinium, 1-(3-alpha-acetoxy-17-oxo-2-beta-piperidino-5-alpha-androstan-16-beta-yl)-1-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 50587-93-4

System Generated Number

  • 0050587934

Molecular Formulas

Molecular Formula

  • C32-H53-N2-O3.Br

Molecular Formula Fragments

  • Br
  • C32-H53-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C32H53N2O3.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;/h23-29H,5-21H2,1-4H3;1H/q+1;/p-1/t23-,24?,25?,26?,27-,28-,29-,31-,32-;/m0./s1

InChIKey

NTJLDTOFIAZONV-VLENUTSUSA-M

Smiles

CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5(C3C[C@@H](C5=O)[N+]6(CCCCC6)C)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1730ug/kg (1.73mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.