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Substance Name: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide
RN: 55417-01-1
InChIKey: NZGCLQZCDWEQFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-Cl-N5-S.Br-H

Molecular Weight

  • 488.9229
 
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Names and Synonyms

  • 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 55417-01-1

System Generated Number

  • 0055417011

Molecular Formulas

Molecular Formula

  • C20-H30-Cl-N5-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H30-Cl-N5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30ClN5S.BrH/c1-14(2)26(15(3)4)13-12-22-19-17(27-6)18(21)23-20(24-19)25(5)16-10-8-7-9-11-16;/h7-11,14-15H,12-13H2,1-6H3,(H,22,23,24);1H

InChIKey

NZGCLQZCDWEQFV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 600mg/kg (600mg/kg)   United States Patent Document. Vol. #3968214,