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Substance Name: Acetophenone, 2-(1-imidazolyl)-3'-phenyl-, hydrochloride, hemihydrate
RN: 77234-75-4
InChIKey: VPGFJWVTMMQIGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-N2-O.Cl-H.1/2H2-O

Molecular Weight

  • 298.772
 
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Names and Synonyms

Synonym

  • N-((3-Phenylbenzoyl)methyl)imidazole hydrochloride hemihydrate

Systematic Name

  • Acetophenone, 2-(1-imidazolyl)-3'-phenyl-, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 77234-75-4

System Generated Number

  • 0077234754

Molecular Formulas

Molecular Formula

  • C17-H14-N2-O.Cl-H.1/2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C17H14N2O.ClH/c20-17(12-19-10-9-18-13-19)16-8-4-7-15(11-16)14-5-2-1-3-6-14;/h1-11,13H,12H2;1H

InChIKey

VPGFJWVTMMQIGG-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)cc(C(C[N+]2C=CN=C2)=O)ccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 210mg/kg (210mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Medicinal Chemistry. Vol. 24, Pg. 727, 1981.
mouse LD50 oral 750mg/kg (750mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Medicinal Chemistry. Vol. 24, Pg. 727, 1981.