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Substance Name: Benzilic acid, 4-piperidino-2-butynyl ester, hydrochloride
RN: 95441-50-2
InChIKey: XVHQNJQDLVSUPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N-O3.Cl-H

Molecular Weight

  • 399.915
 
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Names and Synonyms

Synonym

  • 4-Piperidino-2-butynyl benzilic acid hydrochloride

Systematic Name

  • Benzilic acid, 4-piperidino-2-butynyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 95441-50-2

System Generated Number

  • 0095441502

Molecular Formulas

Molecular Formula

  • C23-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25NO3.ClH/c25-22(27-19-11-10-18-24-16-8-3-9-17-24)23(26,20-12-4-1-5-13-20)21-14-6-2-7-15-21;/h1-2,4-7,12-15,26H,3,8-9,16-19H2;1H

InChIKey

XVHQNJQDLVSUPT-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OCC#CC[NH+]1CCCCC1)=O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 240mg/kg (240mg/kg)   Acta Pharmaceutica Suecica. Vol. 6, Pg. 349, 1969.