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Substance Name: Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-methyl-, di-p-toluenesulfonate
RN: 20814-50-0
InChIKey: YSKZARYUVQUCDJ-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 125027

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 20814-50-0

System Generated Number

  • 0020814500

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/c1-39-17-15-25(37-29(39)31)33-21-7-11-23(12-8-21)35-27(41)19-3-5-20(6-4-19)28(42)36-24-13-9-22(10-14-24)34-26-16-18-40(2)30(32)38-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-18H,1-2H3,(H,35,41)(H,36,42)(H2,31,33,37)(H2,32,34,38);2*2-5H,1H3,(H,8,9,10)

InChIKey

YSKZARYUVQUCDJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.