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Substance Name: SN 4094
RN: 14120-88-8
InChIKey: OPYXKRYDFNCJTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H36-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 875.075
 
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Names and Synonyms

Results Name

  • SN 4094

Name of Substance

  • Bis-(n-butyl)-N,N'-bis-(6-quinoyl)terephthalamide

Synonyms

  • 6,6'-(p-Phenylenebis(carbonylimino))bis(1-butylquinolinium) ditosylate
  • Quinolinium, 6,6',(p-phenylenebis(carbonylimino))bis(1-butyl-, ditosylate
  • SN 4094

Systematic Names

  • Quinolinium, 6,6'-(1,4-phenylenebis(carbonylimino))bis(1-butyl-, salt with 4-methylbenzenesulfonic acid (1:2)
  • Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-butyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 14120-88-8

System Generated Number

  • 0014120888

Molecular Formulas

Molecular Formula

  • C34-H36-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H36-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H34N4O2.2C7H8O3S/c1-3-5-19-37-21-7-9-27-23-29(15-17-31(27)37)35-33(39)25-11-13-26(14-12-25)34(40)36-30-16-18-32-28(24-30)10-8-22-38(32)20-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-18,21-24H,3-6,19-20H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

OPYXKRYDFNCJTK-UHFFFAOYSA-N

Smiles

c1(S(=O)([O-])=O)ccc(C)cc1.[n+]1(c2c(cc(cc2)NC(c2ccc(C(Nc3ccc4[n+](cccc4c3)CCCC)=O)cc2)=O)ccc1)CCCC.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 59mg/kg (59mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.