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Substance Name: Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-alpha-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, diacetate
RN: 50588-02-8
InChIKey: NPIJXCQZLFKBMV-YCJJLAHDSA-L

Molecular Formula

  • C35-H60-N2-O4.2Br

Molecular Weight

  • 732.677
 
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Names and Synonyms

Synonyms

  • 3-alpha,17-alpha-Diacetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstane dimethobromide
  • 5alpha-Androstan-3alpha,17alpha-diol, 2beta,16beta-bis(pipecolinio)-, dibromide, diacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50588-02-8

System Generated Number

  • 0050588028

Molecular Formulas

Molecular Formula

  • C35-H60-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C35-H60-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C35H60N2O4.2BrH/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

NPIJXCQZLFKBMV-YCJJLAHDSA-L

Smiles

CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(CC1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3CC([C@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1610ug/kg (1.61mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.