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-(prop-2-ynyl)-, dibromide, diacetate
RN: 50587-97-8
InChIKey: YFXBQXKXCLKFPD-SLWDSVMPSA-L

Molecular Formula

  • C39-H60-N2-O4.2Br

Molecular Weight

  • 780.721
 
* 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

Synonym

  • 3alpha,17beta-Diacetoxy-2beta,16beta-dipiperidino-5alpha-androstane diprop-2-ynylbromide

Systematic Name

  • Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-(prop-2-ynyl)-, dibromide, diacetate

Registry Numbers

CAS Registry Number

  • 50587-97-8

System Generated Number

  • 0050587978

Molecular Formulas

Molecular Formula

  • C39-H60-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C39-H60-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C39H60N2O4.2BrH/c1-7-19-40(21-11-9-12-22-40)34-26-33-31-16-15-30-25-36(44-28(3)42)35(41(20-8-2)23-13-10-14-24-41)27-39(30,6)32(31)17-18-38(33,5)37(34)45-29(4)43;;/h1-2,30-37H,9-27H2,3-6H3;2*1H/q+2;;/p-2/t30-,31?,32?,33?,34?,35?,36-,37-,38-,39-;;/m0../s1

InChIKey

YFXBQXKXCLKFPD-SLWDSVMPSA-L

Smiles

CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(CC1[N+]4(CCCCC4)CC#C)C)CC[C@]5(C3CC([C@@H]5OC(=O)C)[N+]6(CCCCC6)CC#C)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 96ug/kg (0.096mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.