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Substance Name: Butyrophenone, 4'-fluoro-4-(3a,4,7,7a-tetrahydro-4,7-ethanoisoindolin-2-yl)-, hydrochloride
RN: 14200-12-5
InChIKey: PCMUPTBKPLQIGK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-F-N-O.Cl-H

Molecular Weight

  • 347.859
 
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Names and Synonyms

Synonyms

  • 1-Butanone, 1-(4-fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-4,7-ethano-2H-isoindol-2-yl)-, HCl
  • 4'-Fluoro-4-(3a,4,7,7a-tetrahydro-4,7-ethanoisoindolin-2-yl)butyrophenone hydrochloride

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(3a,4,7,7a-tetrahydro-4,7-ethanoisoindolin-2-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 14200-12-5

System Generated Number

  • 0014200125

Molecular Formulas

Molecular Formula

  • C20-H24-F-N-O.Cl-H

Molecular Formula Fragments

  • C20-H24-F-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23FNO.ClH/c21-17-9-7-16(8-10-17)20(23)2-1-11-22-12-18-14-3-4-15(6-5-14)19(18)13-22;/h3-4,7-10,12,14-15,18-19H,1-2,5-6,11,13H2;1H/q+1;/p-1

InChIKey

PCMUPTBKPLQIGK-UHFFFAOYSA-M

Smiles

C1[C@@H]2[C@@H]([C@@H]3CC[C@@H]2C=C3)C=[N+]1CCCC(c1ccc(F)cc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 60mg/kg (60mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Medicinal Chemistry. Vol. 10, Pg. 621, 1967.