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Substance Name: Phenol, 3-(3-(1-benzoylmethyl-2-methyl-3-propyl)piperidyl)-, hydrochloride
RN: 3145-31-1
InChIKey: NCFJVEJKXIOGJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O2.Cl-H

Molecular Weight

  • 387.948
 
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Names and Synonyms

Synonyms

  • 3-(3-(1-Benzoylmethyl-2-methyl-3-propyl)piperidyl)phenol hydrochloride
  • Acetophenone, 2-(3-(m-hydroxyphenyl)-2-methyl-3-propylpiperidino)-, hydrochloride
  • N-Benzoylmethyl-3-(m-hydroxyphenyl)-2-methyl-3-propylpiperidine hydrochloride
  • Piperidine, N-benzoylmethyl-3-(m-hydroxyphenyl)-2-methyl-3-propyl-, hydrochloride

Systematic Name

  • Phenol, 3-(3-(1-benzoylmethyl-2-methyl-3-propyl)piperidyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 3145-31-1

System Generated Number

  • 0003145311

Molecular Formulas

Molecular Formula

  • C23-H29-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO2.ClH/c1-3-13-23(20-11-7-12-21(25)16-20)14-8-15-24(18(23)2)17-22(26)19-9-5-4-6-10-19;/h4-7,9-12,16,18,25H,3,8,13-15,17H2,1-2H3;1H

InChIKey

NCFJVEJKXIOGJW-UHFFFAOYSA-N

Smiles

C(C[N@@]1[C@@H]([C@@](CCC1)(CCC)c1cc(ccc1)O)C)(=O)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 171mg/kg (171mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 313, 1965.