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Substance Name: 4(1H)-Pyrimidinone, 5-((4-methoxyphenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
RN: 63204-17-1
InChIKey: SWQNLVQEHIPOFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N5-O2-S.2Cl-H

Molecular Weight

  • 458.4115
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 63204-17-1

System Generated Number

  • 0063204171

Molecular Formulas

Molecular Formula

  • C19-H23-N5-O2-S.2Cl-H

Molecular Formula Fragments

  • C19-H23-N5-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23N5O2S.2ClH/c1-13-17(23-12-22-13)11-27-8-7-20-19-21-10-15(18(25)24-19)9-14-3-5-16(26-2)6-4-14;;/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23)(H2,20,21,24,25);2*1H

InChIKey

SWQNLVQEHIPOFV-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3ccc(cc3)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 125mg/kg (125mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 53, 1988.