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Substance Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(dimethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-
RN: 55416-97-2
InChIKey: PNWLIPBDOXGSEU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H20-Cl-N5-S

Molecular Weight

  • 289.833
 
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Names and Synonyms

Synonym

  • 2-Dimethylamino-4-(2'-dimethylamino)ethylamino-5-methylthio-6-chloropyrimidine

Systematic Name

  • 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(dimethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-

Registry Numbers

CAS Registry Number

  • 55416-97-2

System Generated Number

  • 0055416972

Structure Descriptors

InChI

1S/C11H20ClN5S/c1-16(2)7-6-13-10-8(18-5)9(12)14-11(15-10)17(3)4/h6-7H2,1-5H3,(H,13,14,15)

InChIKey

PNWLIPBDOXGSEU-UHFFFAOYSA-N

Smiles

CN(C)CCNc1c(c(nc(n1)N(C)C)Cl)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 57mg/kg (57mg/kg)   United States Patent Document. Vol. #3968214,
mouse LD50 oral 525mg/kg (525mg/kg)   United States Patent Document. Vol. #3968214,