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Substance Name: 4(1H)-Pyrimidinone, 5-((3-methoxyphenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
RN: 63204-20-6
InChIKey: WENUAGGLGBZFKR-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-((3-methoxyphenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 63204-20-6

System Generated Number

  • 0063204206

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

InChIKey

WENUAGGLGBZFKR-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3cccc(c3)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 26130ug/kg (26.13mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 53, 1988.