Responsive image

Common name


Haloperidol

IUPAC name


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

SMILES


OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1

Compound class


Antipsychotic Agents; Antiemetics; Dopamine Antagonists; Anti-Dyskinesia Agents; Butyrophenones; Antidyskinetics; Nervous System; Psycholeptics; Butyrophenone Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;

Therapeutic area


For the management of psychotic disorders (eg. schizophrenia) and delirium, as well as to control tics and vocal utterances of Tourette's syndrome (Gilles de la Tourette's syndrome). Also used for the treatment of severe behavioural problems in children with disrubtive behaviour disorder or ADHD (attention-deficit hyperactivity disorder). Haloperidol has been used in the prevention and control of severe nausea and vomiting.

Common name


Haloperidol

IUPAC name


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

SMILES


OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1

INCHI


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

FORMULA


C21H23ClFNO2

Responsive image

Common name


Haloperidol

IUPAC name


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

Molecular weight


375.864

clogP


5.243

clogS


-5.841

HBond Acceptor


3

HBond Donor


1

Total Polar
Surface Area


40.54

Number of Rings


3

Rotatable Bond


6

Drug ID Common name Structure CAS SMILE Frequency
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00016 chlorobenzene Responsive image c1ccc(cc1)Cl 0.0718
FDBF00098 acetaldehyde Responsive image CC=O 0.0182
FDBF00378 fluorobenzene Responsive image Fc1ccccc1 0.0237
FDBF00983 4-fluorobenzaldehyde Responsive image O=Cc1ccc(cc1)F 0.0017
FDBF00985 1-(4-fluorophenyl)ethanone Responsive image CC(=O)c1ccc(cc1)F 0.0014
FDBF00988 butanal Responsive image C(CC)C=O 0.0021
FDBF00989 1-(4-fluorophenyl)propan-1-one Responsive image C(C)C(=O)c1ccc(cc1)F 0.0014
FDBF01120 4-(4-chlorophenyl)-1-methyl-piperidin-4-ol Responsive image CN1CCC(CC1)(O)c2ccc(cc2)Cl 0.0007
FDBF01123 piperidin-4-ol Responsive image N1CCC(CC1)O 0.0014
15 , 2