Clothiapine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Clothiapine is an atypical antipsychotic indicated in the treatment of acute psychosis, exacerbations of chronic psychosis, chronic psychosis, paranoid psychosis, and anxiety.
- Generic Name
- Clothiapine
- DrugBank Accession Number
- DB13256
- Background
Clothiapine has been approved in European countries and is an atypical antipsychotic, shown to be useful in some treatment-resistant patients.
- Type
- Small Molecule
- Groups
- Approved
- Structure
- Weight
- Average: 343.87
Monoisotopic: 343.0909965 - Chemical Formula
- C18H18ClN3S
- Synonyms
- Clothiapine
- Clotiapina
- Clotiapine
- External IDs
- HF-2159
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.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Acute exacerbation of psychosis •••••••••••• •••••••••• ••••••••• •••••••• • •••••• •••••• Treatment of Acute psychosis •••••••••••• •••••••••• ••••••••• •••••••• • •••••• •••••• Treatment of Chronic psychosis •••••••••••• •••••••••• ••••••••• •••••••• • •••••• •••••• Treatment of Neurotic disorders •••••••••••• •••••••••• ••••••••• •••••••• • •••••• •••••• - 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 Clothiapine. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Clothiapine. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Clothiapine. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Clothiapine. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Clothiapine. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- ATC Codes
- N05AH06 — Clotiapine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzothiazepines
- Sub Class
- Dibenzothiazepines
- Direct Parent
- Dibenzothiazepines
- Alternative Parents
- Diarylthioethers / N-methylpiperazines / Imidolactams / Benzenoids / Aryl chlorides / Trialkylamines / Propargyl-type 1,3-dipolar organic compounds / Carboxamidines / Azacyclic compounds / Organopnictogen compounds show 2 more
- Substituents
- 1,4-diazinane / Amidine / Amine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Aryl thioether / Azacycle / Benzenoid / Carboxylic acid amidine show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Z05HCY0X1T
- CAS number
- 2058-52-8
- InChI Key
- KAAZGXDPUNNEFN-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
- IUPAC Name
- 13-chloro-10-(4-methylpiperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaene
- SMILES
- CN1CCN(CC1)C1=NC2=CC=CC=C2SC2=C1C=C(Cl)C=C2
References
- General References
- AIFA Product Information: Entumin (clothiapine) for oral or parenteral administration [Link]
- External Links
- ChemSpider
- 15510
- BindingDB
- 50040237
- 2620
- ChEBI
- 31424
- ChEMBL
- CHEMBL304902
- ZINC
- ZINC000026185346
- Wikipedia
- Clotiapine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Unknown Status Treatment Psychosis Nos/Other 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, solution Intramuscular; Intravenous 40 MG/4ML Solution / drops Oral 100 MG/ML Tablet Oral 40 MG - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0142 mg/mL ALOGPS logP 4.1 ALOGPS logP 4.15 Chemaxon logS -4.4 ALOGPS pKa (Strongest Basic) 7.23 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 18.84 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 101.55 m3·mol-1 Chemaxon Polarizability 36.73 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0009000000-b0dd3c115d5539047b24 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0009000000-a1d58a6b1ba65b8544c0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0029000000-04df24e1dac79ce9a7a7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0049000000-c1e503e7d5129c991b1f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00kv-0190000000-247f639d9cb8c01d6c7a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0089-6192000000-5166fc65479c9eb8f7b2 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]- 171.48598 predictedDeepCCS 1.0 (2019) [M+H]+ 173.844 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.93712 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:38 / Updated at June 05, 2021 09:13