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Substance Name: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-butoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)-, monohydrobromide
RN: 55417-17-9
InChIKey: PENKFLJJZZAABH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H41-N5-O-S.Br-H

Molecular Weight

  • 540.6108
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55417-17-9

System Generated Number

  • 0055417179

Molecular Formulas

Molecular Formula

  • C25-H41-N5-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C25-H41-N5-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C25H41N5OS.BrH/c1-8-9-17-31-24-22(32-7)23(26-15-16-30(19(2)3)20(4)5)27-25(28-24)29(6)18-21-13-11-10-12-14-21;/h10-14,19-20H,8-9,15-18H2,1-7H3,(H,26,27,28);1H

InChIKey

PENKFLJJZZAABH-UHFFFAOYSA-N

Smiles

CCCCOc1c(c(nc(n1)N(C)Cc2ccccc2)NCCN(C(C)C)C(C)C)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,