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Substance Name: Piperidinium, 1-(3-alpha,17-beta-dihydroxy-16-beta-(trimethylammonio)-5-alpha-androstan-2-beta-yl)-1-methyl-, dibromide, diacetate (ester)
RN: 50588-05-1
InChIKey: KEJXOAXJXYGQRT-TVOXGZDGSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H56-N2-O4.2Br

Molecular Weight

  • 692.6124
 
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Names and Synonyms

  • Piperidinium, 1-(3-alpha,17-beta-dihydroxy-16-beta-(trimethylammonio)-5-alpha-androstan-2-beta-yl)-1-methyl-, dibromide, diacetate (ester)

Registry Numbers

CAS Registry Number

  • 50588-05-1

System Generated Number

  • 0050588051

Molecular Formulas

Molecular Formula

  • C32-H56-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C32-H56-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C32H56N2O4.2BrH/c1-21(35)37-29-18-23-12-13-24-25(32(23,4)20-28(29)34(8)16-10-9-11-17-34)14-15-31(3)26(24)19-27(33(5,6)7)30(31)38-22(2)36;;/h23-30H,9-20H2,1-8H3;2*1H/q+2;;/p-2/t23-,24+,25-,26-,27?,28?,29-,30-,31-,32-;;/m0../s1

InChIKey

KEJXOAXJXYGQRT-TVOXGZDGSA-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+](C)(C)C)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 330ug/kg (0.33mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.