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Substance Name: Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-methyl-, di-p-toluenesulfonate
RN: 20719-34-0
InChIKey: WCSLHKPKXBPHHO-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C30-H30-N10-O2.2C7-H7-O3-S

Molecular Weight

  • 905.026
 
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Names and Synonyms

Synonym

  • NSC 125026

Systematic Name

  • Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-diamino-1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 20719-34-0

System Generated Number

  • 0020719340

Molecular Formulas

Molecular Formula

  • C30-H30-N10-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C30-H30-N10-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C30H28N10O2.2C7H8O3S/c1-39-15-23(25(31)37-29(39)33)17-7-11-21(12-8-17)35-27(41)19-3-5-20(6-4-19)28(42)36-22-13-9-18(10-14-22)24-16-40(2)30(34)38-26(24)32;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-16H,1-2H3,(H,35,41)(H,36,42)(H3,31,33,37)(H3,32,34,38);2*2-5H,1H3,(H,8,9,10)

InChIKey

WCSLHKPKXBPHHO-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)O.c1(ccc(cc1)C(=O)Nc1ccc(cc1)c1c(nc(n(c1)C)=N)N)C(Nc1ccc(cc1)c1c(nc(n(c1)C)=N)N)=O.c1(S(O)(=O)=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 12mg/kg (12mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.