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Substance Name: Benzoic acid, o-chloro-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-
RN: 33422-49-0
InChIKey: BJMBVJWYWMUVKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Cl-N-O3.Cl-H

Molecular Weight

  • 394.296
 
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Names and Synonyms

Synonym

  • (+-)-1-Methyl-3-benzoyl-3-(o-chlorobenzoyloxy)piperidine hydrochloride

Systematic Names

  • Benzoic acid, o-chloro-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone hydrochloride, (+-)-
  • Benzoic acid, o-chloro-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 33422-49-0

System Generated Number

  • 0033422490

Molecular Formulas

Molecular Formula

  • C20-H20-Cl-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H20-Cl-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H20ClNO3.ClH/c1-22-13-7-12-20(14-22,18(23)15-8-3-2-4-9-15)25-19(24)16-10-5-6-11-17(16)21;/h2-6,8-11H,7,12-14H2,1H3;1H

InChIKey

BJMBVJWYWMUVKG-UHFFFAOYSA-N

Smiles

C([C@@]1(OC(c2c(cccc2)Cl)=O)C[N@@H+](CCC1)C)(c1ccccc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 190mg/kg (190mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmaceutical Sciences. Vol. 60, Pg. 685, 1971.