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Substance Name: Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, diiodide, 3-alpha-acetate
RN: 40571-90-2
InChIKey: IKZGNMYQVHRDGD-GMMLHHOXSA-L

Molecular Formula

  • C33-H58-N2-O3.2I

Molecular Weight

  • 784.6322
 
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Names and Synonyms

Synonyms

  • 3-alpha-Acetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstan-17-beta-ol dimethoiodide
  • 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, diiodide, 3alpha-acetate

Systematic Name

  • Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, diiodide, 3-alpha-acetate

Registry Numbers

CAS Registry Number

  • 40571-90-2

System Generated Number

  • 0040571902

Molecular Formulas

Molecular Formula

  • C33-H58-N2-O3.2I

Molecular Formula Fragments

  • C33-H58-N2-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C33H58N2O3.2HI/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-;;/m0../s1

InChIKey

IKZGNMYQVHRDGD-GMMLHHOXSA-L

Smiles

CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3700ug/kg (3.7mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.