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Substance Name: Benzoic acid, o-bromo-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-
RN: 33422-50-3
InChIKey: IAMKWJSQXNEBGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Br-N-O3.Cl-H

Molecular Weight

  • 438.747
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 33422-50-3

System Generated Number

  • 0033422503

Molecular Formulas

Molecular Formula

  • C20-H20-Br-N-O3.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C20H20BrNO3.ClH/c1-22-12-11-16(19(23)14-7-3-2-4-8-14)18(13-22)25-20(24)15-9-5-6-10-17(15)21;/h2-10,16,18H,11-13H2,1H3;1H

InChIKey

IAMKWJSQXNEBGU-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@H](C(c2ccccc2)=O)CC[N@@H+](C1)C)C(c1c(cccc1)Br)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 165mg/kg (165mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmaceutical Sciences. Vol. 60, Pg. 685, 1971.