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Substance Name: Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride
RN: 31556-12-4
InChIKey: FJQRCTWHDLSLHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-F-N-O.Cl-H

Molecular Weight

  • 351.89
 
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Names and Synonyms

Synonyms

  • 4-(3-(4-Fluorobenzoyl)propyl)-4-azahomoadamantane hydrochloride
  • 4-(4-Azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluorobutyrophenone hydrochloride

Systematic Names

  • 1-Butanone, 4-(4-azatricyclo(4.3.1.13,8)undec-4-yl)-1-(4-fluorophenyl)-, hydrochloride
  • Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 31556-12-4

System Generated Number

  • 0031556124

Molecular Formulas

Molecular Formula

  • C20-H26-F-N-O.Cl-H

Molecular Formula Fragments

  • C20-H26-F-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26FNO.ClH/c21-18-5-3-17(4-6-18)20(23)2-1-7-22-13-16-9-14-8-15(10-16)12-19(22)11-14;/h3-6,14-16,19H,1-2,7-13H2;1H

InChIKey

FJQRCTWHDLSLHP-UHFFFAOYSA-N

Smiles

Cl.C([N@@]1C2C[C@@H]3CC(C1)C[C@@H](C2)C3)CCC(c1ccc(cc1)F)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 411, 1971.
mouse LD50 oral > 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 411, 1971.