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Substance Name: Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
RN: 4544-14-3
InChIKey: MADQXQUXQNQNPF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O3.Cl-H

Molecular Weight

  • 361.867
 
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Names and Synonyms

Synonyms

  • 2-(1-Pyrrolidinyl)ethyl benzilate hydrochloride
  • ANC 66
  • Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride

Systematic Name

  • Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 4544-14-3

System Generated Number

  • 0004544143

Molecular Formulas

Molecular Formula

  • C20-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO3.ClH/c22-19(24-16-15-21-13-7-8-14-21)20(23,17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-12,23H,7-8,13-16H2;1H

InChIKey

MADQXQUXQNQNPF-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OCC[NH+]1CCCC1)=O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 30, Pg. 497, 1978.
mouse LD50 intravenous 43mg/kg (43mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 404, 1974.