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Substance Name: 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
RN: 116608-84-5
InChIKey: RKYZVEKEGOOKJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-F-N5-O-S.2Cl-H

Molecular Weight

  • 446.3758
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116608-84-5

System Generated Number

  • 0116608845

Molecular Formulas

Molecular Formula

  • C18-H20-F-N5-O-S.2Cl-H

Molecular Formula Fragments

  • C18-H20-F-N5-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20FN5OS.2ClH/c1-12-16(23-11-22-12)10-26-7-6-20-18-21-9-14(17(25)24-18)8-13-2-4-15(19)5-3-13;;/h2-5,9,11H,6-8,10H2,1H3,(H,22,23)(H2,20,21,24,25);2*1H

InChIKey

RKYZVEKEGOOKJH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 15177ug/kg (15.177mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 53, 1988.