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Substance Name: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thienylmethyl)-, dihydrobromide
RN: 71351-13-8
InChIKey: CJROEXJEOWPLKL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N5-O-S2.2Br-H

Molecular Weight

  • 523.3159
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 71351-13-8

System Generated Number

  • 0071351138

Molecular Formulas

Molecular Formula

  • C16-H19-N5-O-S2.2Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H19-N5-O-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19N5OS2.2BrH/c1-11-14(20-10-19-11)9-23-6-4-17-16-18-8-12(15(22)21-16)7-13-3-2-5-24-13;;/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,19,20)(H2,17,18,21,22);2*1H

InChIKey

CJROEXJEOWPLKL-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3cccs3.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 758ug/kg (0.758mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 65, 1989.