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Substance Name: Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-1-(4-methoxyphenyl)-, monohydrochloride
RN: 160518-34-3
InChIKey: VNDDUIYSTPZXGR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O2-S.Cl-H

Molecular Weight

  • 286.7815
 
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Names and Synonyms

Synonyms

  • 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-1-(4-methoxyphenyl)ethanone monohydrochloride
  • Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-methoxy-, monohydrochloride

Systematic Name

  • Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-1-(4-methoxyphenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 160518-34-3

System Generated Number

  • 0160518343

Molecular Formulas

Molecular Formula

  • C12-H14-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C12-H14-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H14N2O2S.ClH/c1-16-10-4-2-9(3-5-10)11(15)8-17-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14);1H

InChIKey

VNDDUIYSTPZXGR-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C(=O)CSC2=NCCN2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 275mg/kg (275mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 455, 1994.