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Substance Name: 2,4-Pyrimidinediamine, N(sup 4)-(2-(dimethylamino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, monohydrobromide
RN: 55417-13-5
InChIKey: NTPLTMHWKUVYRW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N5-O-S.Br-H

Molecular Weight

  • 428.3964
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55417-13-5

System Generated Number

  • 0055417135

Molecular Formulas

Molecular Formula

  • C17-H25-N5-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H25-N5-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25N5OS.BrH/c1-21(2)12-11-18-15-14(24-5)16(23-4)20-17(19-15)22(3)13-9-7-6-8-10-13;/h6-10H,11-12H2,1-5H3,(H,18,19,20);1H

InChIKey

NTPLTMHWKUVYRW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   United States Patent Document. Vol. #3968214,
mouse LD50 oral 225mg/kg (225mg/kg)   United States Patent Document. Vol. #3968214,