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Substance Name: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-
RN: 55417-03-3
InChIKey: ZSUFANIRSDWLOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-Cl-N5-S

Molecular Weight

  • 422.0378
 
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Names and Synonyms

  • 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-N(sup 2)-(4-methylphenyl)-5-(methylthio)-

Registry Numbers

CAS Registry Number

  • 55417-03-3

System Generated Number

  • 0055417033

Structure Descriptors

InChI

1S/C21H32ClN5S/c1-14(2)27(15(3)4)13-12-23-20-18(28-7)19(22)24-21(25-20)26(6)17-10-8-16(5)9-11-17/h8-11,14-15H,12-13H2,1-7H3,(H,23,24,25)

InChIKey

ZSUFANIRSDWLOS-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)N(C)c2nc(c(c(n2)Cl)SC)NCCN(C(C)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 92mg/kg (92mg/kg)   United States Patent Document. Vol. #3968214,
mouse LD50 oral 900mg/kg (900mg/kg)   United States Patent Document. Vol. #3968214,