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Substance Name: Ethanone, 1-(4-butoxy-3-chlorophenyl)-2-((4,5-dihydro-1-methyl-1H-imidazol-2-yl)thio)-, monohydrochloride
RN: 160518-47-8
InChIKey: STUOBGCQLASOAB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-Cl-N2-O2-S.Cl-H

Molecular Weight

  • 377.3338
 
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Names and Synonyms

Synonym

  • Acetophenone, 4'-butoxy-3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-, monohydrochloride

Systematic Name

  • Ethanone, 1-(4-butoxy-3-chlorophenyl)-2-((4,5-dihydro-1-methyl-1H-imidazol-2-yl)thio)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 160518-47-8

System Generated Number

  • 0160518478

Molecular Formulas

Molecular Formula

  • C16-H21-Cl-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C16-H21-Cl-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21ClN2O2S.ClH/c1-3-4-9-21-15-6-5-12(10-13(15)17)14(20)11-22-16-18-7-8-19(16)2;/h5-6,10H,3-4,7-9,11H2,1-2H3;1H

InChIKey

STUOBGCQLASOAB-UHFFFAOYSA-N

Smiles

CCCCOc1ccc(cc1Cl)C(=O)CSC2=NCCN2C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 307mg/kg (307mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 455, 1994.