Benperidol

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

Identification

Name
Benperidol
Accession Number
DB12867
Type
Small Molecule
Groups
Approved, Investigational
Description

Benperidol has been used in trials studying the treatment of Dementia, Depression, Schizophrenia, Anxiety Disorders, and Psychosomatic Disorders, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
MCN-JR-4584 / R-4584
Categories
UNII
97O6X78C53
CAS number
2062-84-2
Weight
Average: 381.451
Monoisotopic: 381.185255188
Chemical Formula
C22H24FN3O2
InChI Key
FEBOTPHFXYHVPL-UHFFFAOYSA-N
InChI
InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
IUPAC Name
1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]butan-1-one
SMILES
OC1=NC2=CC=CC=C2N1C1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2,5-Dimethoxy-4-ethylamphetamineBenperidol may decrease the stimulatory activities of 2,5-Dimethoxy-4-ethylamphetamine.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when Benperidol is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-MethylenedioxyamphetamineBenperidol may decrease the stimulatory activities of 3,4-Methylenedioxyamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Benperidol.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Benperidol.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Benperidol is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Benperidol.
AcepromazineThe risk or severity of adverse effects can be increased when Acepromazine is combined with Benperidol.
AceprometazineThe risk or severity of adverse effects can be increased when Aceprometazine is combined with Benperidol.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Benperidol.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
16363
PubChem Substance
347829025
ChemSpider
15521
BindingDB
81492
ChEBI
93403
ChEMBL
CHEMBL297302
Wikipedia
Benperidol
ATC Codes
N05AD07 — Benperidol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentAnxiety Disorders / Dementias / Depression / Psychosomatic Disorders / Schizophrenic Disorders1
4CompletedTreatmentSchizoaffective Disorders / Schizophrenia and Disorders With Psychotic Features / Schizophrenic Disorders1

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 Solubility0.0306 mg/mLALOGPS
logP3.6ALOGPS
logP3.79ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)11.67ChemAxon
pKa (Strongest Basic)8.55ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area58.36 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity106.34 m3·mol-1ChemAxon
Polarizability41.85 Å3ChemAxon
Number of Rings4ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-01b9-3911000000-e206a343ec091deafac6

Taxonomy

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
Phenylbutylamines / Butyrophenones / Benzimidazoles / Aryl alkyl ketones / Benzoyl derivatives / Fluorobenzenes / Piperidines / Aryl fluorides / N-substituted imidazoles / Gamma-amino ketones
show 8 more
Substituents
Alkyl-phenylketone / Butyrophenone / Phenylbutylamine / Benzimidazole / Benzoyl / Aryl alkyl ketone / Halobenzene / Fluorobenzene / Aryl fluoride / Aryl halide
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:52 / Updated on November 02, 2018 07:30