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Substance Name: Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-(2-propynyl)-, dibromide
RN: 50587-91-2
InChIKey: NBEBDTZRLDSEOF-HHPDZDLISA-L

Molecular Formula

  • C35-H56-N2-O2.2Br

Molecular Weight

  • 696.6474
 
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Names and Synonyms

Synonyms

  • 2-beta,16-beta-Dipiperidino-5-alpha-androstan-3-alpha,16-beta-diol diprop-2-ynylbromide
  • 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50587-91-2

System Generated Number

  • 0050587912

Molecular Formulas

Molecular Formula

  • C35-H56-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C35-H56-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C35H56N2O2.2BrH/c1-5-17-36(19-9-7-10-20-36)30-24-29-27-14-13-26-23-32(38)31(37(18-6-2)21-11-8-12-22-37)25-35(26,4)28(27)15-16-34(29,3)33(30)39;;/h1-2,26-33,38-39H,7-25H2,3-4H3;2*1H/q+2;;/p-2/t26-,27?,28?,29?,30?,31?,32-,33-,34-,35-;;/m0../s1

InChIKey

NBEBDTZRLDSEOF-HHPDZDLISA-L

Smiles

C[C@]12CCC3C(C1CC([C@@H]2O)[N+]4(CCCCC4)CC#C)CC[C@@H]5[C@@]3(CC([C@H](C5)O)[N+]6(CCCCC6)CC#C)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 1mg/kg (1mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.