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Substance Name: Quinolinium, 6,6'-((2-aminoterephthaloyl)diimino)bis(1-ethyl-, di-p-toluenesulfonate
RN: 18519-47-6
InChIKey: GEKHEXKEXAVPFP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H29-N5-O2.2C7-H7-O3-S

Molecular Weight

  • 833.983
 
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Names and Synonyms

Synonyms

  • 6,6'-((2-Aminoterephthaloyl)diimino)bis(1-ethylquinolinium) di-p-toluenesulfonate
  • 6,6'-(2-Amino-1,4-phenylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate

Systematic Name

  • Quinolinium, 6,6'-((2-aminoterephthaloyl)diimino)bis(1-ethyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18519-47-6

System Generated Number

  • 0018519476

Molecular Formulas

Molecular Formula

  • C30-H29-N5-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C30-H29-N5-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C30H27N5O2.2C7H8O3S/c1-3-34-15-5-7-20-17-23(10-13-27(20)34)32-29(36)22-9-12-25(26(31)19-22)30(37)33-24-11-14-28-21(18-24)8-6-16-35(28)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-19H,3-4H2,1-2H3,(H2-2,31,32,33,36,37);2*2-5H,1H3,(H,8,9,10)

InChIKey

GEKHEXKEXAVPFP-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.c1(c(cc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CC)N)C(=O)Nc1cc2ccc[n+](c2cc1)CC.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 6mg/kg (6mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.