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Substance Name: Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha-17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, dipropionate
RN: 50587-98-9
InChIKey: SGQUVFFXXLYUFF-WZDWOHFZSA-L

Molecular Formula

  • C37-H64-N2-O4.2Br

Molecular Weight

  • 760.7306
 
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Names and Synonyms

Synonyms

  • 3-alpha,17-beta-Dipropionyloxy-2-beta,16-beta-dipiperidino-5-alpha-androstane dimethobromide
  • 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50587-98-9

System Generated Number

  • 0050587989

Molecular Formulas

Molecular Formula

  • C37-H64-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C37-H64-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C37H64N2O4.2BrH/c1-7-33(40)42-32-23-26-15-16-27-28(37(26,4)25-31(32)39(6)21-13-10-14-22-39)17-18-36(3)29(27)24-30(35(36)43-34(41)8-2)38(5)19-11-9-12-20-38;;/h26-32,35H,7-25H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30?,31?,32-,35-,36-,37-;;/m0../s1

InChIKey

SGQUVFFXXLYUFF-WZDWOHFZSA-L

Smiles

CCC(=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)CC)[N+]6(CCCCC6)C)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 280ug/kg (0.28mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.