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Substance Name: Quinolinium, 6,6'-(p,p'-biphenylylenebis(carbonylimino))bis(1-butyl-, ditosylate
RN: 18430-43-8
InChIKey: BNCXXUFPUHLPOW-UHFFFAOYSA-P

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C40-H40-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 953.188
 
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Names and Synonyms

Synonym

  • 6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-butylquinolinium) ditosylate

Systematic Name

  • Quinolinium, 6,6'-(p,p'-biphenylylenebis(carbonylimino))bis(1-butyl-, ditosylate

Registry Numbers

CAS Registry Number

  • 18430-43-8

System Generated Number

  • 0018430438

Molecular Formulas

Molecular Formula

  • C40-H40-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C40-H40-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C40H38N4O2.2C7H8O3S/c1-3-5-23-43-25-7-9-33-27-35(19-21-37(33)43)41-39(45)31-15-11-29(12-16-31)30-13-17-32(18-14-30)40(46)42-36-20-22-38-34(28-36)10-8-26-44(38)24-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-22,25-28H,3-6,23-24H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/p+2

InChIKey

BNCXXUFPUHLPOW-UHFFFAOYSA-P

Smiles

c1(ccc(cc1)C)S(=O)(=O)O.c1(ccc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CCCC)c1ccc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CCCC.c1(ccc(cc1)C)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 57mg/kg (57mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.