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Substance Name: Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-pentyl, di-p-toluenesulfonate
RN: 18519-37-4
InChIKey: MXEZIDLDFCAJBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H40-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 903.129
 
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Names and Synonyms

Synonyms

  • 6,6'-(p-Phenylenebis(carbonylimino))bis(1-pentylquinolinium) ditosylate
  • Quinolinium, 6,6'-(p-phenylenebis(carbonylimino))bis(1-pentyl-, ditosylate

Systematic Name

  • Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-pentyl, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18519-37-4

System Generated Number

  • 0018519374

Molecular Formulas

Molecular Formula

  • C36-H40-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H40-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H38N4O2.2C7H8O3S/c1-3-5-7-21-39-23-9-11-29-25-31(17-19-33(29)39)37-35(41)27-13-15-28(16-14-27)36(42)38-32-18-20-34-30(26-32)12-10-24-40(34)22-8-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h9-20,23-26H,3-8,21-22H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

MXEZIDLDFCAJBZ-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CCCCC)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 LD10 intraperitoneal 57mg/kg (57mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.