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Substance Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-5-(methylthio)-N(sup 2), N(sup 2)-dipropyl-, dihydrobromide
RN: 55474-01-6
InChIKey: MNCYBOKXVGBIGF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H32-Cl-N5-S.2Br-H

Molecular Weight

  • 535.8176
 
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Names and Synonyms

Synonyms

  • 2-Dipropylamino-4-(2'-diethylamino)ethylamino-5-methylthio-6-chloropyrimidine dihydrobromide
  • 6-Chloro-N4-(2-(diethylamino)ethyl)-5-(methylthio)-N2,N2-dipropyl-2,4-pyrimidinediamine 2HBr

Systematic Name

  • 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-5-(methylthio)-N(sup 2), N(sup 2)-dipropyl-, dihydrobromide

Registry Numbers

CAS Registry Number

  • 55474-01-6

System Generated Number

  • 0055474016

Molecular Formulas

Molecular Formula

  • C17-H32-Cl-N5-S.2Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H32-Cl-N5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H32ClN5S.2BrH/c1-6-11-23(12-7-2)17-20-15(18)14(24-5)16(21-17)19-10-13-22(8-3)9-4;;/h6-13H2,1-5H3,(H,19,20,21);2*1H

InChIKey

MNCYBOKXVGBIGF-UHFFFAOYSA-N

Smiles

CCCN(CCC)c1nc(c(c(n1)Cl)SC)NCCN(CC)CC.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   United States Patent Document. Vol. #3968214,