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Substance Name: Quinolinium, 1-ethyl-6-((p-(p-((1-ethylquinolinium-6-yl)carbamoyl)benzamido)phenyl)carbamoyl-, di-p-toluenesulfonate
RN: 19056-07-6
InChIKey: WBVMHYQYNITPGZ-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

  • Quinolinium, 1-ethyl-6-((p-(p-((1-ethylquinolinium-6-yl)carbamoyl)benzamido)phenyl)carbamoyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19056-07-6

System Generated Number

  • 0019056076

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/c1-3-41-21-5-7-27-23-29(13-19-33(27)41)37(45)39-31-16-14-30(15-17-31)38-35(43)25-9-11-26(12-10-25)36(44)40-32-18-20-34-28(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

WBVMHYQYNITPGZ-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].[n+]1(cccc2cc(ccc12)C(=O)Nc1ccc(cc1)NC(c1ccc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CC)=O)CC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.