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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino(2-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
RN: 19083-88-6
InChIKey: MPNFBCXTQWTVCH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C38-H38-N6-O6.2C7-H7-O3-S

Molecular Weight

  • 1017.14
 
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Names and Synonyms

  • Pyridinium, 3,3'-(terephthaloylbis(imino(2-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19083-88-6

System Generated Number

  • 0019083886

Molecular Formulas

Molecular Formula

  • C38-H38-N6-O6.2C7-H7-O3-S

Molecular Formula Fragments

  • C38-H38-N6-O6
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H36N6O6.2C7H8O3S/c1-5-43-19-7-9-29(23-43)41-37(47)31-17-15-27(21-33(31)49-3)39-35(45)25-11-13-26(14-12-25)36(46)40-28-16-18-32(34(22-28)50-4)38(48)42-30-10-8-20-44(6-2)24-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-24H,5-6H2,1-4H3,(H2-2,39,40,41,42,45,46,47,48);2*2-5H,1H3,(H,8,9,10)

InChIKey

MPNFBCXTQWTVCH-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].C(c1ccc(C(=O)Nc2cc(c(cc2)C(=O)Nc2c[n+](ccc2)CC)OC)cc1)(=O)Nc1cc(c(cc1)C(=O)Nc1c[n+](ccc1)CC)OC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.