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Substance Name: 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-
RN: 35727-98-1
InChIKey: JIFDJCNWIJUBKY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H10-Cl2-N4-O2

Molecular Weight

  • 373.198
 
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Names and Synonyms

Synonyms

  • 4,6-Dichloro-2-(3,4-dimethoxyanilino)-1,3,5-benzenetricarbonitrile
  • 4,6-Dichloro-2-(3,4-dimethoxyanilino)trimesonitrile
  • BRN 2787739

Systematic Name

  • 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-

Registry Numbers

CAS Registry Number

  • 35727-98-1

System Generated Number

  • 0035727981

Structure Descriptors

InChI

1S/C17H10Cl2N4O2/c1-24-13-4-3-9(5-14(13)25-2)23-17-11(7-21)15(18)10(6-20)16(19)12(17)8-22/h3-5,23H,1-2H3

InChIKey

JIFDJCNWIJUBKY-UHFFFAOYSA-N

Smiles

c1(c(c(c(c(c1Nc1cc(c(cc1)OC)OC)C#N)Cl)C#N)Cl)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 178mg/kg (178mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.