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Substance Name: Quinolinium, 1-propyl-6-(p-(p-((1-propylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
RN: 19056-03-2
InChIKey: XWVBNNWJSQSYOW-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C39-H37-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 966.144
 
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Names and Synonyms

  • Quinolinium, 1-propyl-6-(p-(p-((1-propylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19056-03-2

System Generated Number

  • 0019056032

Molecular Formulas

Molecular Formula

  • C39-H37-N5-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C39-H37-N5-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C39H35N5O3.2C7H8O3S/c1-3-21-43-23-5-7-30-25-33(17-19-35(30)43)41-38(46)28-11-9-27(10-12-28)37(45)40-32-15-13-29(14-16-32)39(47)42-34-18-20-36-31(26-34)8-6-24-44(36)22-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20,23-26H,3-4,21-22H2,1-2H3,(H-2,40,41,42,45,46,47);2*2-5H,1H3,(H,8,9,10)

InChIKey

XWVBNNWJSQSYOW-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)CCC)=O)=O)CCC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 95mg/kg (95mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.