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Substance Name: Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha-hydroxy-17-oxo-5-alpha-androstanylene))bis(1-methyl-, dibromide
RN: 15500-69-3
InChIKey: NKKDTCFYEUEDCU-MDTWZBLYSA-L

Molecular Formula

  • C31-H54-N2-O2.2Br

Molecular Weight

  • 646.588
 
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Names and Synonyms

Synonyms

  • 2-beta,16-beta-Dipiperidino-3-alpha-hydroxy-5-alpha-androstan-17-one dimethobromide
  • 5-alpha-Androstan-17-one, 2-beta,16-beta-dipipecolinio-3-alpha-hydroxy-, dibromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15500-69-3

System Generated Number

  • 0015500693

Molecular Formulas

Molecular Formula

  • C31-H54-N2-O2.2Br

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C31H54N2O2.2BrH/c1-30-14-13-24-23(25(30)20-26(29(30)35)32(3)15-7-5-8-16-32)12-11-22-19-28(34)27(21-31(22,24)2)33(4)17-9-6-10-18-33;;/h22-28,34H,5-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23+,24-,25-,26-,27-,28-,30-,31-;;/m0../s1

InChIKey

NKKDTCFYEUEDCU-MDTWZBLYSA-L

Smiles

C1[C@H](O)[C@@H]([N+]2(CCCCC2)C)C[C@@]2([C@H]1CC[C@@H]1[C@@H]2CC[C@@]2([C@H]1C[C@@H]([N+]1(CCCCC1)C)C2=O)C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4250ug/kg (4.25mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.