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Substance Name: 1-Butanone, 4-(3,6-dihydro-2-(4-methoxyphenyl)-4-methyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-,hydrochloride
RN: 33345-73-2
InChIKey: URULGKFQJTZPRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-F-N-O2.Cl-H

Molecular Weight

  • 403.922
 
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Names and Synonyms

Synonym

  • 4'-Fluoro-4-(4-methyl-2-(4-methoxyphenyl)-1,2,3,6-tetrahydro-1-pyridyl)butyrophenone HCl

Systematic Name

  • 1-Butanone, 4-(3,6-dihydro-2-(4-methoxyphenyl)-4-methyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-,hydrochloride

Registry Numbers

CAS Registry Number

  • 33345-73-2

System Generated Number

  • 0033345732

Molecular Formulas

Molecular Formula

  • C23-H26-F-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H26-F-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26FNO2.ClH/c1-17-13-15-25(22(16-17)18-7-11-21(27-2)12-8-18)14-3-4-23(26)19-5-9-20(24)10-6-19;/h5-13,22H,3-4,14-16H2,1-2H3;1H

InChIKey

URULGKFQJTZPRC-UHFFFAOYSA-N

Smiles

C(CCC[N@@]1CC=C(C[C@@H]1c1ccc(cc1)OC)C)(=O)c1ccc(cc1)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1008, 1971.