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Substance Name: Acetic acid, diphenyl-, 3-(4-pyridyl)propyl ester, hydrochloride
RN: 66902-54-3
InChIKey: UYLHHMJHOKZYHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N-O2.Cl-H

Molecular Weight

  • 367.874
 
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Names and Synonyms

Synonym

  • Diphenylacetic acid 3-(4-pyridyl)propyl ester hydrochloride

Systematic Name

  • Acetic acid, diphenyl-, 3-(4-pyridyl)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 66902-54-3

System Generated Number

  • 0066902543

Molecular Formulas

Molecular Formula

  • C22-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C22-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H21NO2.ClH/c24-22(25-17-7-8-18-13-15-23-16-14-18)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20;/h1-6,9-16,21H,7-8,17H2;1H

InChIKey

UYLHHMJHOKZYHU-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)C(OCCCc1cc[n+]cc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of the American Chemical Society. Vol. 69, Pg. 630, 1947.