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Substance Name: Butyrophenone, 4'-fluoro-4-(2,3,4,5,6,7-hexahydro-1H-azepin-1-yl)-, hydrochloride
RN: 59921-82-3
InChIKey: BBGMTQYQGXYFAE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-F-N-O.Cl-H

Molecular Weight

  • 299.815
 
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Names and Synonyms

Synonym

  • 4'-Fluoro-4-(2,3,4,5,6,7-hexahydro-1H-azepin-1-yl)butyrophenone hydrochloride

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(2,3,4,5,6,7-hexahydro-1H-azepin-1-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 59921-82-3

System Generated Number

  • 0059921823

Molecular Formulas

Molecular Formula

  • C16-H22-F-N-O.Cl-H

Molecular Formula Fragments

  • C16-H22-F-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22FNO.ClH/c17-15-9-7-14(8-10-15)16(19)6-5-13-18-11-3-1-2-4-12-18;/h7-10H,1-6,11-13H2;1H

InChIKey

BBGMTQYQGXYFAE-UHFFFAOYSA-N

Smiles

c1(C(CCC[NH+]2CCCCCC2)=O)ccc(F)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 442, 1976.