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Substance Name: Benzilic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride
RN: 96067-89-9
InChIKey: JZJXNRLNTVBJOU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-N-O3.Cl-H

Molecular Weight

  • 437.964
 
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Names and Synonyms

Synonyms

  • 1-Pyrrolidineethanol, alpha-phenyl-, benzilate, hydrochloride
  • Benactizina N. 52
  • Benactizina N. 52 [Italian]

Systematic Name

  • Benzilic acid, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 96067-89-9

System Generated Number

  • 0096067899

Molecular Formulas

Molecular Formula

  • C26-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C26-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H27NO3.ClH/c28-25(26(29,22-14-6-2-7-15-22)23-16-8-3-9-17-23)30-24(20-27-18-10-11-19-27)21-12-4-1-5-13-21;/h1-9,12-17,24,29H,10-11,18-20H2;1H

InChIKey

JZJXNRLNTVBJOU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Farmaco, Edizione Scientifica. Vol. 19, Pg. 588, 1964.