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Substance Name: Pyridinium, 2,2'-(terephthaloylbis(imino-p-phenylene))bis(1-ethyl-, di-p-toluenesulfonate
RN: 14101-74-7
InChIKey: LQXIAVAVHFOLJN-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H32-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 871.043
 
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Names and Synonyms

Synonym

  • 2,2'-(Terephthaloylbis(imino-p-phenylene))bis(1-ethylpyridinium) di-p-toluenesulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14101-74-7

System Generated Number

  • 0014101747

Molecular Formulas

Molecular Formula

  • C34-H32-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H32-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H30N4O2.2C7H8O3S/c1-3-37-23-7-5-9-31(37)25-15-19-29(20-16-25)35-33(39)27-11-13-28(14-12-27)34(40)36-30-21-17-26(18-22-30)32-10-6-8-24-38(32)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

LQXIAVAVHFOLJN-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.[n+]1(c(cccc1)c1ccc(cc1)NC(=O)c1ccc(C(Nc2ccc(cc2)c2cccc[n+]2CC)=O)cc1)CC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.