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Substance Name: Piperidinium, 1-(3-alpha,16-beta-dihydroxy-17-beta-(1-methylpyrrolidinio)-5-alpha-androstan-2-beta-yl)-1-methyl-, diiodide, diacetate (ester)
RN: 50588-10-8
InChIKey: VQMCJPQQYYBZBQ-GBSDVEEQSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H58-N2-O4.2I

Molecular Weight

  • 812.6422
 
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Names and Synonyms

  • Piperidinium, 1-(3-alpha,16-beta-dihydroxy-17-beta-(1-methylpyrrolidinio)-5-alpha-androstan-2-beta-yl)-1-methyl-, diiodide, diacetate (ester)

Registry Numbers

CAS Registry Number

  • 50588-10-8

System Generated Number

  • 0050588108

Molecular Formulas

Molecular Formula

  • C34-H58-N2-O4.2I

Molecular Formula Fragments

  • C34-H58-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C34H58N2O4.2HI/c1-23(37)39-30-20-25-12-13-26-27(34(25,4)22-29(30)35(5)16-8-7-9-17-35)14-15-33(3)28(26)21-31(40-24(2)38)32(33)36(6)18-10-11-19-36;;/h25-32H,7-22H2,1-6H3;2*1H/q+2;;/p-2/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;;/m0../s1

InChIKey

VQMCJPQQYYBZBQ-GBSDVEEQSA-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]5[N+]6(CCCC6)C)OC(=O)C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 450ug/kg (0.45mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.