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Substance Name: Pyridinium, 1,1'-(1,12-dodecanediyl)bis(4-((2-ethylhexyl)amino)-, dibromide
RN: 64690-41-1
InChIKey: VBGWTAGNJZKBOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H68-N4.2Br

Molecular Weight

  • 740.7912
 
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Names and Synonyms

Synonyms

  • 1,1'-(1,12-Dodecanediyl)bis(4-((2-ethylhexyl)amino)pyridinium) dibromide
  • 1,12-Bis(4-(2-ethylhexylamino)-1-pyridinium)dodecane dibromide

Systematic Name

  • Pyridinium, 1,1'-(1,12-dodecanediyl)bis(4-((2-ethylhexyl)amino)-, dibromide

Registry Numbers

CAS Registry Number

  • 64690-41-1

System Generated Number

  • 0064690411

Molecular Formulas

Molecular Formula

  • C38-H68-N4.2Br

Molecular Formula Fragments

  • Br
  • C38-H68-N4
  • COMPONENT

Structure Descriptors

InChI

1S/C38H66N4.2BrH/c1-5-9-21-35(7-3)33-39-37-23-29-41(30-24-37)27-19-17-15-13-11-12-14-16-18-20-28-42-31-25-38(26-32-42)40-34-36(8-4)22-10-6-2;;/h23-26,29-32,35-36H,5-22,27-28,33-34H2,1-4H3;2*1H

InChIKey

VBGWTAGNJZKBOV-UHFFFAOYSA-N

Smiles

CCCCC(CC)CNc1cc[n+](cc1)CCCCCCCCCCCC[n+]2ccc(cc2)NCC(CC)CCCC.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4206215,