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Substance Name: Phenol, 3-(3-(2,3-dimethyl-1-phenethyl)piperidyl)-, hydrobromide
RN: 427-98-5
InChIKey: ZYYFIOWDBAVIGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O.Br-H

Molecular Weight

  • 390.362
 
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Names and Synonyms

Synonyms

  • 2,3-Dimethyl-3-(m-hydroxyphenyl)-N-phenethylpiperidine hydrobromide
  • 3-(3-(2,3-Dimethyl-1-phenethyl)piperidyl)phenol hydrobromide
  • Piperidine, 2,3-dimethyl-3-(m-hydroxyphenyl)-N-phenethyl-, hydrobromide

Systematic Name

  • Phenol, 3-(3-(2,3-dimethyl-1-phenethyl)piperidyl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 427-98-5

System Generated Number

  • 0000427985

Molecular Formulas

Molecular Formula

  • C21-H27-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C21-H27-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO.BrH/c1-17-21(2,19-10-6-11-20(23)16-19)13-7-14-22(17)15-12-18-8-4-3-5-9-18;/h3-6,8-11,16-17,23H,7,12-15H2,1-2H3;1H

InChIKey

ZYYFIOWDBAVIGG-UHFFFAOYSA-N

Smiles

c1ccc(O)cc1[C@@]1(C)[C@@H](C)[N@@](CCc2ccccc2)CCC1.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 155mg/kg (155mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 313, 1965.