Moperone

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

Identification

Generic Name
Moperone
DrugBank Accession Number
DB13554
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 355.453
Monoisotopic: 355.194757244
Chemical Formula
C22H26FNO2
Synonyms
  • Moperone
External IDs
  • R 1658

Pharmacology

Indication

Not Available

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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 Moperone.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Moperone.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Moperone.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Moperone.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Moperone.
Food Interactions
Not Available

Categories

ATC Codes
N05AD04 — Moperone
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 / Butyrophenones / Phenylbutylamines / Aryl alkyl ketones / Benzoyl derivatives / Fluorobenzenes / Aralkylamines / Toluenes / Gamma-amino ketones / Aryl fluorides
show 7 more
Substituents
Alcohol / Alkyl-phenylketone / Amine / Aralkylamine / Aromatic heteromonocyclic compound / Aryl alkyl ketone / Aryl fluoride / Aryl halide / Azacycle / Benzenoid
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
OU730881W5
CAS number
1050-79-9
InChI Key
AGAHNABIDCTLHW-UHFFFAOYSA-N
InChI
InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3
IUPAC Name
1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one
SMILES
CC1=CC=C(C=C1)C1(O)CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1

References

General References
Not Available
ChemSpider
4100
BindingDB
81486
ChEBI
135500
ChEMBL
CHEMBL2104700
ZINC
ZINC000000538026
Wikipedia
Moperone

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 Solubility0.0102 mg/mLALOGPS
logP3.41ALOGPS
logP3.57Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)14.02Chemaxon
pKa (Strongest Basic)8.17Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area40.54 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity102.83 m3·mol-1Chemaxon
Polarizability39.22 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0fki-3952000000-0d6445e231acf60f5f24
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-eb35e411ceec8039fe70
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-0009000000-0229b0d5aaaefd59c44e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-059i-1219000000-571d445d301cda51bf1b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1119000000-8b192336987f32219858
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0933000000-bcc3b0369bcb25ee70c4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fsl-3595000000-9ae1499a4e7dbed0b9e3
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]-187.05873
predicted
DeepCCS 1.0 (2019)
[M+H]+189.41673
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.4853
predicted
DeepCCS 1.0 (2019)

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