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Substance Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-, monohydrobromide
RN: 55417-07-7
InChIKey: YDGOEOKVOGXEJY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-Cl-N5-S.Br-H

Molecular Weight

  • 474.8961
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55417-07-7

System Generated Number

  • 0055417077

Molecular Formulas

Molecular Formula

  • C19-H28-Cl-N5-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C19-H28-Cl-N5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H28ClN5S.BrH/c1-6-25(7-2)13-12-21-18-16(26-5)17(20)22-19(23-18)24(4)15-10-8-14(3)9-11-15;/h8-11H,6-7,12-13H2,1-5H3,(H,21,22,23);1H

InChIKey

YDGOEOKVOGXEJY-UHFFFAOYSA-N

Smiles

CCN(CC)CCNc1c(c(nc(n1)N(C)c2ccc(cc2)C)Cl)SC.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 675mg/kg (675mg/kg)   United States Patent Document. Vol. #3968214,