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Substance Name: Quinolinium, 6,6'-((2-aminoterephthaloyl)diimino)bis(1-pentyl-, di-p-toluenesulfonate
RN: 18519-50-1
InChIKey: XLVSHTSASGLVRK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H41-N5-O2.2C7-H7-O3-S

Molecular Weight

  • 918.143
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 18519-50-1

System Generated Number

  • 0018519501

Molecular Formulas

Molecular Formula

  • C36-H41-N5-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H41-N5-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H39N5O2.2C7H8O3S/c1-3-5-7-19-40-21-9-11-26-23-29(14-17-33(26)40)38-35(42)28-13-16-31(32(37)25-28)36(43)39-30-15-18-34-27(24-30)12-10-22-41(34)20-8-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h9-18,21-25H,3-8,19-20H2,1-2H3,(H2-2,37,38,39,42,43);2*2-5H,1H3,(H,8,9,10)

InChIKey

XLVSHTSASGLVRK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.