Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-ethyl-, di-p-toluenesulfonate
RN: 20719-29-3
InChIKey: COZHASXUPYEQIA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C32-H34-N10-O2.2C7-H7-O3-S

Molecular Weight

  • 933.079
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • NSC 125030

Systematic Names

  • Pyrimidinium, 4,4'-(1,4-phenylenebis(carbonylimino-4,1-phenylene-imino))bis(2-amino-1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2) (9CI)
  • Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-ethyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 20719-29-3

System Generated Number

  • 0020719293

Molecular Formulas

Molecular Formula

  • C32-H34-N10-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C32-H34-N10-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C32H32N10O2.2C7H8O3S/c1-3-41-19-17-27(39-31(41)33)35-23-9-13-25(14-10-23)37-29(43)21-5-7-22(8-6-21)30(44)38-26-15-11-24(12-16-26)36-28-18-20-42(4-2)32(34)40-28;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20H,3-4H2,1-2H3,(H6,33,34,35,36,37,38,39,40,43,44);2*2-5H,1H3,(H,8,9,10)

InChIKey

COZHASXUPYEQIA-UHFFFAOYSA-N

Smiles

S(c1ccc(cc1)C)([O-])(=O)=O.S(c1ccc(C)cc1)([O-])(=O)=O.n1c([n+](ccc1Nc1ccc(NC(c2ccc(C(Nc3ccc(Nc4nc(N)[n+](cc4)CC)cc3)=O)cc2)=O)cc1)CC)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 112mg/kg (112mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.