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Substance Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-N(sup 2)-(phenylmethyl)-, monohydrobromide
RN: 55416-94-9
InChIKey: ITRNFFDMEFJKCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-Cl-N5-S

Molecular Weight

  • 474.8961
 
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Names and Synonyms

Synonym

  • 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr

Systematic Name

  • 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-N(sup 2)-(phenylmethyl)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 55416-94-9

System Generated Number

  • 0055416949

Structure Descriptors

InChI

1S/C19H28ClN5S.BrH/c1-5-25(6-2)13-12-21-18-16(26-4)17(20)22-19(23-18)24(3)14-15-10-8-7-9-11-15;/h7-11H,5-6,12-14H2,1-4H3,(H,21,22,23);1H

InChIKey

ITRNFFDMEFJKCK-UHFFFAOYSA-N

Smiles

CCN(CC)CCNc1c(c(nc(n1)N(C)Cc2ccccc2)Cl)SC.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   United States Patent Document. Vol. #3968214,
mouse LD50 oral 525mg/kg (525mg/kg)   United States Patent Document. Vol. #3968214,