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Substance Name: Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-hexyl-, di-p-toluenesulfonate
RN: 14120-89-9
InChIKey: TUOUESVEYXKIPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H44-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 931.182
 
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Names and Synonyms

Synonyms

  • 6,6'-(p-Phenylenebis(carbonylimino))bis(1-hexylquinolinium) ditosylate
  • Quinolinium, 6,6'-(p-phenylenebis(carbonylimino))bis(1-hexyl-, ditosylate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14120-89-9

System Generated Number

  • 0014120899

Molecular Formulas

Molecular Formula

  • C38-H44-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C38-H44-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H42N4O2.2C7H8O3S/c1-3-5-7-9-23-41-25-11-13-29-19-21-33(27-35(29)41)39-37(43)31-15-17-32(18-16-31)38(44)40-34-22-20-30-14-12-26-42(36(30)28-34)24-10-8-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h11-22,25-28H,3-10,23-24H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

TUOUESVEYXKIPT-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].[n+]1(c2c(ccc1)ccc(c2)NC(=O)c1ccc(C(Nc2ccc3ccc[n+](CCCCCC)c3c2)=O)cc1)CCCCCC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 27mg/kg (27mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.