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Substance Name: Butyrophenone, 4'-fluoro-4-((4-p-fluorophenyl-4-methoxycyclohexyl)amino)-, hydrochloride, (E)-
RN: 42020-96-2
InChIKey: SIZQOZWQHVSXMC-AFFTWYSYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-F2-N-O2.Cl-H

Molecular Weight

  • 423.9282
 
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Names and Synonyms

Synonyms

  • trans-4'-Fluoro-4-((4-p-fluorophenyl-4-methoxycyclohexyl)amino)butyrophenone hydrochloride
  • trans-N-(3-p-Fluorobenzoylpropyl)-4-(p-fluorophenyl)-4-methoxycyclohexylamine hydrochloride

Systematic Name

  • Butyrophenone, 4'-fluoro-4-((4-p-fluorophenyl-4-methoxycyclohexyl)amino)-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 42020-96-2

System Generated Number

  • 0042020962

Molecular Formulas

Molecular Formula

  • C23-H27-F2-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H27-F2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27F2NO2.ClH/c1-28-23(18-6-10-20(25)11-7-18)14-12-21(13-15-23)26-16-2-3-22(27)17-4-8-19(24)9-5-17;/h4-11,21,26H,2-3,12-16H2,1H3;1H/t21-,23-;

InChIKey

SIZQOZWQHVSXMC-AFFTWYSYSA-N

Smiles

CO[C@]1(CC[C@@H](CC1)NCCCC(=O)c2ccc(cc2)F)c3ccc(cc3)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 112mg/kg (112mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1251, 1973.