Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Haloperidol synonyms


Graphical representations:


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Molecular Formula: C21H23ClFNO2

Natural Isotopic Abundance Mass: 375.8642232

Mono-Isotopic Molecular Masses:

  • C12N14: 375.140134881
  • C13N14: 396.210586479
  • C12N15: 376.137169774
  • C13N15: 397.207621372

InChI string: InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

IUPAC: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

BMRB Ligand Expo: GMJ
PubChem Compound (CID): 3559

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,