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Substance Name: Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate
RN: 18520-54-2
InChIKey: HCSLMDXTLBSEPV-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C36-H36-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 899.097
 
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Names and Synonyms

Synonyms

  • 3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium) di-p-toluenesulfonate
  • 3,3'-(Terephthaloyldiiminobis(p-phenylene))bis(1-propylpyridinium) di-p-toluenesulfonate

Systematic Name

  • Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18520-54-2

System Generated Number

  • 0018520542

Molecular Formulas

Molecular Formula

  • C36-H36-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H36-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H34N4O2.2C7H8O3S/c1-3-21-39-23-5-7-31(25-39)27-13-17-33(18-14-27)37-35(41)29-9-11-30(12-10-29)36(42)38-34-19-15-28(16-20-34)32-8-6-24-40(26-32)22-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20,23-26H,3-4,21-22H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

HCSLMDXTLBSEPV-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(cc1)C(=O)Nc1ccc(cc1)c1c[n+](ccc1)CCC)C(=O)Nc1ccc(cc1)c1c[n+](ccc1)CCC.c1(S([O-])(=O)=O)ccc(C)cc1

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.