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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)-phenyl-, monohydrobromide
RN: 55417-18-0
InChIKey: RHTQPYNIBLTDEL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H39-N5-O-S.Br-H

Molecular Weight

  • 526.584
 
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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)-phenyl-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 55417-18-0

System Generated Number

  • 0055417180

Molecular Formulas

Molecular Formula

  • C24-H39-N5-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C24-H39-N5-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C24H39N5OS.BrH/c1-8-9-17-30-23-21(31-7)22(25-15-16-29(18(2)3)19(4)5)26-24(27-23)28(6)20-13-11-10-12-14-20;/h10-14,18-19H,8-9,15-17H2,1-7H3,(H,25,26,27);1H

InChIKey

RHTQPYNIBLTDEL-UHFFFAOYSA-N

Smiles

CCCCOc1c(c(nc(n1)N(C)c2ccccc2)NCCN(C(C)C)C(C)C)SC.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 525mg/kg (525mg/kg)   United States Patent Document. Vol. #3968214,