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Substance Name: 2,4-Pyrimidinediamine, N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(diethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-, monohydrobromide
RN: 55417-12-4
InChIKey: CSGFTEIQJWOBHZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-Cl-N5-O-S.Br-H

Molecular Weight

  • 490.8951
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55417-12-4

System Generated Number

  • 0055417124

Molecular Formulas

Molecular Formula

  • C19-H28-Cl-N5-O-S.Br-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C19H28ClN5OS.BrH/c1-6-25(7-2)13-12-21-17-16(27-5)18(26-4)23-19(22-17)24(3)15-10-8-14(20)9-11-15;/h8-11H,6-7,12-13H2,1-5H3,(H,21,22,23);1H

InChIKey

CSGFTEIQJWOBHZ-UHFFFAOYSA-N

Smiles

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