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Substance Name: Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-ethyl-6-methyl-, di-p-toluenesulfonate
RN: 20719-32-8
InChIKey: YVWDOPCTWNQCHV-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H38-N10-O2.2C7-H7-O3-S

Molecular Weight

  • 961.133
 
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Names and Synonyms

  • Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-ethyl-6-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 20719-32-8

System Generated Number

  • 0020719328

Molecular Formulas

Molecular Formula

  • C34-H38-N10-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C34-H38-N10-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H36N10O2.2C7H8O3S/c1-5-43-21(3)19-29(41-33(43)35)37-25-11-15-27(16-12-25)39-31(45)23-7-9-24(10-8-23)32(46)40-28-17-13-26(14-18-28)38-30-20-22(4)44(6-2)34(36)42-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-20H,5-6H2,1-4H3,(H,39,45)(H,40,46)(H2,35,37,41)(H2,36,38,42);2*2-5H,1H3,(H,8,9,10)

InChIKey

YVWDOPCTWNQCHV-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)O.c1(ccc(cc1)C(Nc1ccc(cc1)Nc1nc(n(c(c1)C)CC)=N)=O)C(=O)Nc1ccc(cc1)Nc1nc(n(c(c1)C)CC)=N.c1(ccc(cc1)C)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.