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Substance Name: Pyrimidine, 4-chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-methylthio-, hydrochloride
RN: 55477-31-1
InChIKey: FSKXVVHQBUMKJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-Cl-N5-S.Cl-H

Molecular Weight

  • 400.3757
 
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Names and Synonyms

Synonyms

  • 2-(N-Methyl-N-phenyl)amino-4-N-methylpiperazino-5-methylthio-6-chloropyrimidine hydrochloride
  • 2-Pyrimidinamine, 4-chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-phenyl-, HCl
  • 4-Chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-methylthiopyrimidine hydrochloride
  • 5-25-12-00572 (Beilstein Handbook Reference)
  • BRN 0897297

Systematic Name

  • Pyrimidine, 4-chloro-2-(N-methylanilino)-6-(4-methylpiperazino)-5-methylthio-, hydrochloride

Registry Numbers

CAS Registry Number

  • 55477-31-1

System Generated Number

  • 0055477311

Molecular Formulas

Molecular Formula

  • C17-H22-Cl-N5-S.Cl-H

Molecular Formula Fragments

  • C17-H22-Cl-N5-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22ClN5S.ClH/c1-21-9-11-23(12-10-21)16-14(24-3)15(18)19-17(20-16)22(2)13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3;1H

InChIKey

FSKXVVHQBUMKJV-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)c2c(c(nc(n2)N(C)c3ccccc3)Cl)SC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 112mg/kg (112mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.
mouse LD50 oral 525mg/kg (525mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.