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Substance Name: Quinolinium, 1-methyl-6-(p-(p-((1-methylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
RN: 19056-01-0
InChIKey: QSJZXXCJGOOFQZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C35-H29-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 910.037
 
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Names and Synonyms

  • Quinolinium, 1-methyl-6-(p-(p-((1-methylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19056-01-0

System Generated Number

  • 0019056010

Molecular Formulas

Molecular Formula

  • C35-H29-N5-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C35-H29-N5-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C35H27N5O3.2C7H8O3S/c1-39-19-3-5-26-21-29(15-17-31(26)39)37-34(42)24-9-7-23(8-10-24)33(41)36-28-13-11-25(12-14-28)35(43)38-30-16-18-32-27(22-30)6-4-20-40(32)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3,(H-2,36,37,38,41,42,43);2*2-5H,1H3,(H,8,9,10)

InChIKey

QSJZXXCJGOOFQZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.