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Substance Name: 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride
RN: 35806-05-4
InChIKey: MNCCCXBJVCHKGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-F-N-O.Cl-H

Molecular Weight

  • 387.923
 
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Names and Synonyms

  • 1-Butanone, 4-(3,6-dihydro-4,5-dimethyl-2-phenyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 35806-05-4

System Generated Number

  • 0035806054

Molecular Formulas

Molecular Formula

  • C23-H26-F-N-O.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C23H26FNO.ClH/c1-17-15-22(19-7-4-3-5-8-19)25(16-18(17)2)14-6-9-23(26)20-10-12-21(24)13-11-20;/h3-5,7-8,10-13,22H,6,9,14-16H2,1-2H3;1H

InChIKey

MNCCCXBJVCHKGG-UHFFFAOYSA-N

Smiles

C(CCC[N@@]1CC(=C(C[C@@H]1c1ccccc1)C)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.