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Substance Name: Quinolinium, 1-ethyl-6-(p-(p-((1-ethylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
RN: 16758-28-4
InChIKey: DODFHMULUWZKJG-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C37-H33-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 938.09
 
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Names and Synonyms

Synonym

  • NSC 101326

Systematic Names

  • Quinolinium, 1-ethyl-6-((4-((4-(((1-ethylquinolinium-6-yl)amino)carbonyl)benzoyl)amino)benzoyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2) (9CI)
  • Quinolinium, 1-ethyl-6-(p-(p-((1-ethylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 16758-28-4

System Generated Number

  • 0016758284

Molecular Formulas

Molecular Formula

  • C37-H33-N5-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C37-H33-N5-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C37H31N5O3.2C7H8O3S/c1-3-41-21-5-7-28-23-31(17-19-33(28)41)39-36(44)26-11-9-25(10-12-26)35(43)38-30-15-13-27(14-16-30)37(45)40-32-18-20-34-29(24-32)8-6-22-42(34)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3,(H-2,38,39,40,43,44,45);2*2-5H,1H3,(H,8,9,10)

InChIKey

DODFHMULUWZKJG-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].[n+]1(cccc2cc(ccc12)NC(c1ccc(cc1)NC(c1ccc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CC)=O)=O)CC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 45mg/kg (45mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.