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Substance Name: 4(1H)-Pyrimidinone, 5-((4-hydroxyphenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
RN: 70311-39-6
InChIKey: UVYHRLBDRHOTMF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N5-O2-S.2Cl-H

Molecular Weight

  • 444.3847
 
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Names and Synonyms

Synonym

  • 2-(2-(5-Methyl-4-imidazolylmethylthio)ethylamino)-5-(4-hydroxybenzyl)pyrimidin-4-one 2HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70311-39-6

System Generated Number

  • 0070311396

Molecular Formulas

Molecular Formula

  • C18-H21-N5-O2-S.2Cl-H

Molecular Formula Fragments

  • C18-H21-N5-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21N5O2S.2ClH/c1-12-16(22-11-21-12)10-26-7-6-19-18-20-9-14(17(25)23-18)8-13-2-4-15(24)5-3-13;;/h2-5,9,11,24H,6-8,10H2,1H3,(H,21,22)(H2,19,20,23,25);2*1H

InChIKey

UVYHRLBDRHOTMF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22220ug/kg (22.22mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 53, 1988.