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Substance Name: Piperidinium, 1,1'-(3-alpha,16-beta-dihydroxy-5-alpha-androstan-2-beta,17-beta-ylene)bis(1-methyl-, diiodide
RN: 50588-12-0
InChIKey: UPELLUMKKDIOHA-LKRYSLHCSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H56-N2-O2.2I

Molecular Weight

  • 742.5954
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 50588-12-0

System Generated Number

  • 0050588120

Molecular Formulas

Molecular Formula

  • C34-H56-N2-O2.2I

Molecular Formula Fragments

  • C34-H56-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C31H56N2O2.2HI/c1-30-14-13-24-23(25(30)20-28(35)29(30)33(4)17-9-6-10-18-33)12-11-22-19-27(34)26(21-31(22,24)2)32(3)15-7-5-8-16-32;;/h22-29,34-35H,5-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23+,24-,25-,26-,27-,28-,29-,30-,31-;;/m0../s1

InChIKey

UPELLUMKKDIOHA-LKRYSLHCSA-L

Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2[N+]4(CCCCC4)C)O)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)[N+]6(CCCCC6)C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.