Moperone
Star0
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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Moperone. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Moperone. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Moperone. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Moperone. Alfentanil The 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
- External Links
- ChemSpider
- 4100
- BindingDB
- 81486
- ChEBI
- 135500
- ChEMBL
- CHEMBL2104700
- ZINC
- ZINC000000538026
- Wikipedia
- Moperone
Clinical Trials
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
Property Value Source Water Solubility 0.0102 mg/mL ALOGPS logP 3.41 ALOGPS logP 3.57 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 14.02 Chemaxon pKa (Strongest Basic) 8.17 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 40.54 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 102.83 m3·mol-1 Chemaxon Polarizability 39.22 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0fki-3952000000-0d6445e231acf60f5f24 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-eb35e411ceec8039fe70 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0f89-0009000000-0229b0d5aaaefd59c44e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-059i-1219000000-571d445d301cda51bf1b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-1119000000-8b192336987f32219858 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0933000000-bcc3b0369bcb25ee70c4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fsl-3595000000-9ae1499a4e7dbed0b9e3 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 187.05873 predictedDeepCCS 1.0 (2019) [M+H]+ 189.41673 predictedDeepCCS 1.0 (2019) [M+Na]+ 196.4853 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54