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Substance Name: Butyrophenone, 4'-fluoro-4-(4-(p-fluorophenyl)cyclohexylamino)-, hydrochloride, (Z)-
RN: 36771-98-9
InChIKey: MKUVHLRYFYZRMJ-COQUQOPOSA-N

Molecular Formula

  • C22-H25-F2-N-O.Cl-H

Molecular Weight

  • 393.902
 
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Names and Synonyms

Synonym

  • cis-4'-Fluoro-4-(4-(p-fluorophenyl)cyclohexylamino)butyrophenone hydrochloride

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(4-(p-fluorophenyl)cyclohexylamino)-, hydrochloride, (Z)-

Registry Numbers

CAS Registry Number

  • 36771-98-9

System Generated Number

  • 0036771989

Molecular Formulas

Molecular Formula

  • C22-H25-F2-N-O.Cl-H

Molecular Formula Fragments

  • C22-H25-F2-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25F2NO.ClH/c23-19-9-3-16(4-10-19)17-7-13-21(14-8-17)25-15-1-2-22(26)18-5-11-20(24)12-6-18;/h3-6,9-12,17,21,25H,1-2,7-8,13-15H2;1H/t17-,21+;

InChIKey

MKUVHLRYFYZRMJ-COQUQOPOSA-N

Smiles

c1([C@H]2CC[C@@H]([NH2+]CCCC(c3ccc(F)cc3)=O)CC2)ccc(F)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 126mg/kg (126mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1239, 1972.