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Substance Name: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(phenylmethyl)-, dihydrochloride
RN: 116608-81-2
InChIKey: PGGLPJCSJNFSDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N5-O-S.2Cl-H

Molecular Weight

  • 428.3857
 
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Names and Synonyms

Synonym

  • 5-Benzyl-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-4(1H)-pyrimidinone 2HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116608-81-2

System Generated Number

  • 0116608812

Molecular Formulas

Molecular Formula

  • C18-H21-N5-O-S.2Cl-H

Molecular Formula Fragments

  • C18-H21-N5-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21N5OS.2ClH/c1-13-16(22-12-21-13)11-25-8-7-19-18-20-10-15(17(24)23-18)9-14-5-3-2-4-6-14;;/h2-6,10,12H,7-9,11H2,1H3,(H,21,22)(H2,19,20,23,24);2*1H

InChIKey

PGGLPJCSJNFSDL-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 514ug/kg (0.514mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 53, 1988.