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Substance Name: Benzoic acid, 2-(2-(1H-imidazol-4-yl)-1-phenylethyl)-, monohydrochloride
RN: 132287-23-1
InChIKey: KKGYRYQDWHIFLF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-N2-O2.Cl-H

Molecular Weight

  • 328.7973
 
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Names and Synonyms

Synonym

  • 2-(2-(1H-Imidazol-4-yl)-1-phenylethyl)benzoic acid monohydrochloride

Systematic Name

  • Benzoic acid, 2-(2-(1H-imidazol-4-yl)-1-phenylethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 132287-23-1

System Generated Number

  • 0132287231

Molecular Formulas

Molecular Formula

  • C18-H16-N2-O2.Cl-H

Molecular Formula Fragments

  • C18-H16-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H16N2O2.ClH/c21-18(22)16-9-5-4-8-15(16)17(10-14-11-19-12-20-14)13-6-2-1-3-7-13;/h1-9,11-12,17H,10H2,(H,19,20)(H,21,22);1H

InChIKey

KKGYRYQDWHIFLF-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(Cc2c[nH]cn2)c3ccccc3C(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 557, 1990.