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Substance Name: Ethanone, 1-(3-chloro-4-(pentyloxy)phenyl)-2-((4,5-dihydro-1-methyl-1H-imidazol-2-yl)thio)-, monohydrochloride
RN: 160518-48-9
InChIKey: DGRJHJKLIDYGNS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-Cl-N2-O2-S.Cl-H

Molecular Weight

  • 391.3606
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Ethanone, 1-(3-chloro-4-(pentyloxy)phenyl)-2-((4,5-dihydro-1-methyl-1H-imidazol-2-yl)thio)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 160518-48-9

System Generated Number

  • 0160518489

Molecular Formulas

Molecular Formula

  • C17-H23-Cl-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C17-H23-Cl-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23ClN2O2S.ClH/c1-3-4-5-10-22-16-7-6-13(11-14(16)18)15(21)12-23-17-19-8-9-20(17)2;/h6-7,11H,3-5,8-10,12H2,1-2H3;1H

InChIKey

DGRJHJKLIDYGNS-UHFFFAOYSA-N

Smiles

CCCCCOc1ccc(cc1Cl)C(=O)CSC2=NCCN2C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 318mg/kg (318mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 455, 1994.