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Substance Name: NSC125028
RN: 20719-18-0
InChIKey: DROVUFVDSOIUQG-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C32-H30-N6-O2.2C7-H7-O3-S

Molecular Weight

  • 873.02
 
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Names and Synonyms

Results Name

  • NSC125028

Synonym

  • NSC 125028

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 20719-18-0

Other Registry Number

  • 81944-17-4

System Generated Number

  • 0020719180

Molecular Formulas

Molecular Formula

  • C32-H30-N6-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C32-H30-N6-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C32H28N6O2.2C7H8O3S/c1-37-20-17-29(18-21-37)33-25-9-13-27(14-10-25)35-31(39)23-5-7-24(8-6-23)32(40)36-28-15-11-26(12-16-28)34-30-4-3-19-38(2)22-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3,(H2-,34,35,36,39,40);2*2-5H,1H3,(H,8,9,10)

InChIKey

DROVUFVDSOIUQG-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].c1(ccc(cc1)C)S(=O)(=O)[O-].[n+]1(cc(Nc2ccc(cc2)NC(c2ccc(cc2)C(Nc2ccc(cc2)Nc2cc[n+](cc2)C)=O)=O)ccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 3100ug/kg (3.1mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.