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Substance Name: Benzamide, N-(4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinyl)-N-methyl-, monohydrochloride
RN: 55477-32-2
InChIKey: WXNZHNBICYJCMQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-Cl-N5-O-S.Cl-H

Molecular Weight

  • 428.386
 
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Names and Synonyms

Synonym

  • 2-(N-Methyl-N-benzoyl)amino-4-N-methyl-piperazino-6-chloro-5-methylthio-pyrimidine HCl

Systematic Name

  • Benzamide, N-(4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinyl)-N-methyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 55477-32-2

System Generated Number

  • 0055477322

Molecular Formulas

Molecular Formula

  • C18-H22-Cl-N5-O-S.Cl-H

Molecular Formula Fragments

  • C18-H22-Cl-N5-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22ClN5OS.ClH/c1-22-9-11-24(12-10-22)16-14(26-3)15(19)20-18(21-16)23(2)17(25)13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3;1H

InChIKey

WXNZHNBICYJCMQ-UHFFFAOYSA-N

Smiles

c1(N2CC[NH+](C)CC2)c(c(nc(n1)N(C(c1ccccc1)=O)C)Cl)SC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 91500ug/kg (91.5mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.