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Substance Name: Quinolinium, 1-ethyl-7-(p-(p-((1-ethylquinolinium-7-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
RN: 18355-54-9
InChIKey: XIVGWOBUURGLNW-UHFFFAOYSA-P

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C37-H33-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 940.106
 
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Names and Synonyms

  • Quinolinium, 1-ethyl-7-(p-(p-((1-ethylquinolinium-7-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18355-54-9

System Generated Number

  • 0018355549

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

InChIKey

XIVGWOBUURGLNW-UHFFFAOYSA-P

Smiles

c1(ccc(cc1)C)S(=O)(=O)O.[n+]1(cccc2ccc(cc12)NC(c1ccc(cc1)NC(c1ccc(cc1)C(=O)Nc1ccc2ccc[n+](c2c1)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 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.