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Substance Name: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thiazolylmethyl)-, trihydrochloride
RN: 64107-58-0
InChIKey: VMQFULFMPBMJID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N6-O-S2.3Cl-H

Molecular Weight

  • 471.8629
 
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Names and Synonyms

  • 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thiazolylmethyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 64107-58-0

System Generated Number

  • 0064107580

Molecular Formulas

Molecular Formula

  • C15-H18-N6-O-S2.3Cl-H

Molecular Formula Fragments

  • C15-H18-N6-O-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N6OS2.3ClH/c1-10-12(20-9-19-10)8-23-4-2-17-15-18-7-11(14(22)21-15)6-13-16-3-5-24-13;;;/h3,5,7,9H,2,4,6,8H2,1H3,(H,19,20)(H2,17,18,21,22);3*1H

InChIKey

VMQFULFMPBMJID-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3nccs3.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8022ug/kg (8.022mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 65, 1989.