Trifluperidol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Trifluperidol
DrugBank Accession Number
DB13552
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 409.425
Monoisotopic: 409.166491637
Chemical Formula
C22H23F4NO2
Synonyms
  • Trifluperidol

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Trifluperidol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Trifluperidol.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Trifluperidol.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Trifluperidol.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Trifluperidol.
Food Interactions
Not Available

Categories

ATC Codes
N05AD02 — Trifluperidol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylpiperidines / Phenylbutylamines / Butyrophenones / Trifluoromethylbenzenes / Aryl alkyl ketones / Benzoyl derivatives / Aralkylamines / Fluorobenzenes / Aryl fluorides / Gamma-amino ketones
show 8 more
Substituents
Alcohol / Alkyl fluoride / Alkyl halide / Alkyl-phenylketone / Amine / Aralkylamine / Aromatic heteromonocyclic compound / Aryl alkyl ketone / Aryl fluoride / Aryl halide
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
R8869Q7R8I
CAS number
749-13-3
InChI Key
GPMXUUPHFNMNDH-UHFFFAOYSA-N
InChI
InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
IUPAC Name
1-(4-fluorophenyl)-4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}butan-1-one
SMILES
OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC(=CC=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
5366
BindingDB
50047016
RxNav
10804
ChEBI
135662
ChEMBL
CHEMBL15023
ZINC
ZINC000000538505
Wikipedia
Trifluperidol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0178 mg/mLALOGPS
logP3.7ALOGPS
logP3.93Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)13.93Chemaxon
pKa (Strongest Basic)8.02Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area40.54 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity103.76 m3·mol-1Chemaxon
Polarizability40.04 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0201900000-8180f808d14354d967d0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0006900000-277be37f94adbc38165b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dl-0309100000-a73724d7bed2f01b2936
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-3349700000-75c3641d380c984b0bfe
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1911100000-8e6409710a7b68ebc1b3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-7379300000-a78793fe109f29310b0d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-194.39207
predicted
DeepCCS 1.0 (2019)
[M+H]+196.75008
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.7299
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54