Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, diiodide, diacetate
RN: 40571-89-9
InChIKey: SRSVRTORWOTOTJ-YTGGZNJNSA-L

Molecular Formula

  • C35-H60-N2-O4.2I

Molecular Weight

  • 826.669
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-alpha,17-beta-Diacetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstane dimethiodide
  • 5-alpha-Androstan-3-alpha,17-beta-diol, 2-beta,16-beta-dipipecolinio-, diiodide, diacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40571-89-9

System Generated Number

  • 0040571899

Molecular Formulas

Molecular Formula

  • C35-H60-N2-O4.2I

Molecular Formula Fragments

  • C35-H60-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C35H60N2O4.2HI/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1

InChIKey

SRSVRTORWOTOTJ-YTGGZNJNSA-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]5OC(=O)C)[N+]6(CCCCC6)C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 49ug/kg (0.049mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.