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Substance Name: Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
RN: 19060-75-4
InChIKey: DPNMQCUEWSXHDH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C37-H36-N6-O5.2C7-H7-O3-S

Molecular Weight

  • 987.119
 
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Names and Synonyms

  • Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19060-75-4

System Generated Number

  • 0019060754

Molecular Formulas

Molecular Formula

  • C37-H36-N6-O5.2C7-H7-O3-S

Molecular Formula Fragments

  • C37-H36-N6-O5
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C37H34N6O5.2C7H8O3S/c1-4-42-20-6-8-30(23-42)40-34(44)25-10-15-28(16-11-25)38-36(46)27-14-19-32(33(22-27)48-3)37(47)39-29-17-12-26(13-18-29)35(45)41-31-9-7-21-43(5-2)24-31;2*1-6-2-4-7(5-3-6)11(8,9)10/h6-24H,4-5H2,1-3H3,(H2-2,38,39,40,41,44,45,46,47);2*2-5H,1H3,(H,8,9,10)

InChIKey

DPNMQCUEWSXHDH-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].c1(c(cc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)CC)OC)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)CC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.