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Substance Name: Acetophenone, 2-(1-imidazolyl)-4'-phenoxy-, hydrochloride, hydrate
RN: 77234-71-0
InChIKey: ZJRLAXXWQHSIBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-N2-O2.Cl-H.H2-O

Molecular Weight

  • 316.786
 
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Names and Synonyms

Synonym

  • N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate

Systematic Name

  • Acetophenone, 2-(1-imidazolyl)-4'-phenoxy-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 77234-71-0

System Generated Number

  • 0077234710

Molecular Formulas

Molecular Formula

  • C17-H14-N2-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C17-H14-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H16N2O2.ClH/c20-17(12-19-11-10-18-13-19)14-6-8-16(9-7-14)21-15-4-2-1-3-5-15;/h1-11,13,17,20H,12H2;1H

InChIKey

ZJRLAXXWQHSIBZ-UHFFFAOYSA-N

Smiles

c1(Oc2ccccc2)ccc([C@@H](C[N+]2C=CN=C2)O)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Medicinal Chemistry. Vol. 24, Pg. 727, 1981.