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Substance Name: Acetamide, N-(2-chloro-4-(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)phenyl)-, monohydrochloride
RN: 160518-39-8
InChIKey: VMCUMVVMBWQGRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N3-O2-S.Cl-H

Molecular Weight

  • 348.2525
 
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Names and Synonyms

Synonym

  • Acetanilide, 2'-chloro-4-((2-imidazolin-2-ylthio)acetyl)-, monohydrochloride

Systematic Name

  • Acetamide, N-(2-chloro-4-(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)phenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 160518-39-8

System Generated Number

  • 0160518398

Molecular Formulas

Molecular Formula

  • C13-H14-N3-O2-S.Cl-H

Molecular Formula Fragments

  • C13-H14-N3-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14ClN3O2S.ClH/c1-8(18)17-11-3-2-9(6-10(11)14)12(19)7-20-13-15-4-5-16-13;/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,17,18);1H

InChIKey

VMCUMVVMBWQGRC-UHFFFAOYSA-N

Smiles

CC(=O)Nc1ccc(cc1Cl)C(=O)CSC2=NCCN2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 325mg/kg (325mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 455, 1994.