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Substance Name: Pyrrolidinium, 1,1'-(2-beta-hydroxy-5-alpha-androstan-3-alpha,17-beta-ylene)bis(1-methyl-, dibromide, acetate (ester)
RN: 50588-17-5
InChIKey: RTZXVVHSOBNNHC-RJUNSUKPSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H54-N2-O2.2Br

Molecular Weight

  • 646.5876
 
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Names and Synonyms

  • Pyrrolidinium, 1,1'-(2-beta-hydroxy-5-alpha-androstan-3-alpha,17-beta-ylene)bis(1-methyl-, dibromide, acetate (ester)

Registry Numbers

CAS Registry Number

  • 50588-17-5

System Generated Number

  • 0050588175

Molecular Formulas

Molecular Formula

  • C31-H54-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C31-H54-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C31H54N2O2.2BrH/c1-22(34)35-28-21-31(3)23(20-27(28)32(4)16-6-7-17-32)10-11-24-25-12-13-29(33(5)18-8-9-19-33)30(25,2)15-14-26(24)31;;/h23-29H,6-21H2,1-5H3;2*1H/q+2;;/p-2/t23-,24-,25-,26-,27-,28-,29-,30-,31-;;/m0../s1

InChIKey

RTZXVVHSOBNNHC-RJUNSUKPSA-L

Smiles

CC(=O)O[C@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+]5(CCCC5)C)C)C[C@@H]1[N+]6(CCCC6)C)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2530ug/kg (2.53mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.