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Substance Name: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-methoxy-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)-
RN: 55417-14-6
InChIKey: SYYMYUGGPZNMRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H35-N5-O-S

Molecular Weight

  • 417.6185
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55417-14-6

System Generated Number

  • 0055417146

Structure Descriptors

InChI

1S/C22H35N5OS/c1-16(2)27(17(3)4)14-13-23-20-19(29-7)21(28-6)25-22(24-20)26(5)15-18-11-9-8-10-12-18/h8-12,16-17H,13-15H2,1-7H3,(H,23,24,25)

InChIKey

SYYMYUGGPZNMRG-UHFFFAOYSA-N

Smiles

CC(C)N(CCNc1c(c(nc(n1)N(C)Cc2ccccc2)OC)SC)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18500ug/kg (18.5mg/kg)   United States Patent Document. Vol. #3968214,
mouse LD50 oral 600mg/kg (600mg/kg)   United States Patent Document. Vol. #3968214,