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Substance Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
RN: 55416-95-0
InChIKey: UKCPBTSQODXYBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-Cl2-N5-S.Br-H

Molecular Weight

  • 495.3144
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55416-95-0

System Generated Number

  • 0055416950

Molecular Formulas

Molecular Formula

  • C18-H25-Cl2-N5-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H25-Cl2-N5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25Cl2N5S.BrH/c1-5-25(6-2)12-11-21-17-15(26-4)16(20)22-18(23-17)24(3)14-9-7-13(19)8-10-14;/h7-10H,5-6,11-12H2,1-4H3,(H,21,22,23);1H

InChIKey

UKCPBTSQODXYBQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 610mg/kg (610mg/kg)   United States Patent Document. Vol. #3968214,