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Substance Name: Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-methyl-, di-p-toluenesulfonate
RN: 18520-56-4
InChIKey: XQSPIEJJYZGUTM-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C32-H28-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 842.99
 
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Names and Synonyms

Synonym

  • 4,4'-(Terephthaloylbis(imino-p-phenylene))bis(1-methylpyridinium)di-p-toluenesulfonate

Systematic Name

  • Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18520-56-4

System Generated Number

  • 0018520564

Molecular Formulas

Molecular Formula

  • C32-H28-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C32-H28-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C32H26N4O2.2C7H8O3S/c1-35-19-15-25(16-20-35)23-7-11-29(12-8-23)33-31(37)27-3-5-28(6-4-27)32(38)34-30-13-9-24(10-14-30)26-17-21-36(2)22-18-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

XQSPIEJJYZGUTM-UHFFFAOYSA-N

Smiles

c1(S([O-])(=O)=O)ccc(C)cc1.c1(ccc(cc1)C(=O)Nc1ccc(cc1)c1cc[n+](cc1)C)C(=O)Nc1ccc(cc1)c1cc[n+](cc1)C.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 110mg/kg (110mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.