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Substance Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(dimethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide
RN: 55416-96-1
InChIKey: WYBITDURMDMWMD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-Cl-N5-S.Br-H

Molecular Weight

  • 432.8157
 
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Names and Synonyms

Synonym

  • 2-N-Methyl-N-phenylamino-4-(2'-dimethylamino)ethylamino-5-methylthio-6-chloropyrimidine HBr

Systematic Name

  • 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(dimethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 55416-96-1

System Generated Number

  • 0055416961

Molecular Formulas

Molecular Formula

  • C16-H22-Cl-N5-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H22-Cl-N5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22ClN5S.BrH/c1-21(2)11-10-18-15-13(23-4)14(17)19-16(20-15)22(3)12-8-6-5-7-9-12;/h5-9H,10-11H2,1-4H3,(H,18,19,20);1H

InChIKey

WYBITDURMDMWMD-UHFFFAOYSA-N

Smiles

CN(C)CCNc1c(c(nc(n1)N(C)c2ccccc2)Cl)SC.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 80mg/kg (80mg/kg)   United States Patent Document. Vol. #3968214,
mouse LD50 oral 200mg/kg (200mg/kg)   United States Patent Document. Vol. #3968214,