Clocapramine
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Identification
- Generic Name
- Clocapramine
- DrugBank Accession Number
- DB09003
- Background
Clocapramine is an atypical antipsychotic of the imidobenzyl class which was introduced in Japan in 1974 for the treatment of schizophrenia. In addition to psychosis, clocapramine has also been used to augment antidepressants in the treatment of anxiety and panic. Clocapramine has been implicated in at least one strange death, including a suicide.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 481.073
Monoisotopic: 480.265589533 - Chemical Formula
- C28H37ClN4O
- Synonyms
- Clocapramina
- Clocapramine
- Clocapraminum
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
- 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.Not Available
- 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.
- Product Ingredients
Ingredient UNII CAS InChI Key Clocapramine hydrochloride 9NLU6H3LRD 60789-62-0 SWCNPPOGIXOVAZ-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzazepines
- Sub Class
- Dibenzazepines
- Direct Parent
- Dibenzazepines
- Alternative Parents
- Alkyldiarylamines / Piperidinecarboxamides / Azepines / Aminopiperidines / Benzenoids / Aryl chlorides / Trialkylamines / Carboximidic acids / Azacyclic compounds / Organopnictogen compounds show 3 more
- Substituents
- 4-aminopiperidine / Alkyldiarylamine / Amine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azepine / Benzenoid / Carboximidic acid show 15 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6EEL1GB72K
- CAS number
- 47739-98-0
- InChI Key
- QAZKXHSIKKNOHH-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
- IUPAC Name
- 1'-(3-{14-chloro-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)-[1,4'-bipiperidine]-4'-carboximidic acid
- SMILES
- OC(=N)C1(CCN(CCCN2C3=CC=CC=C3CCC3=C2C=C(Cl)C=C3)CC1)N1CCCCC1
References
- Synthesis Reference
U.S. Patent 3,668,210.
- General References
- Not Available
- External Links
- KEGG Drug
- D07718
- PubChem Compound
- 2793
- PubChem Substance
- 310264963
- ChemSpider
- 2691
- ChEBI
- 135778
- ChEMBL
- CHEMBL2104103
- ZINC
- ZINC000000608266
- Drugs.com
- Drugs.com Drug Page
- Wikipedia
- Clocapramine
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 181-183 U.S. Patent 3,668,210. - Predicted Properties
Property Value Source Water Solubility 0.0055 mg/mL ALOGPS logP 4.69 ALOGPS logP 2.83 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) -4 Chemaxon pKa (Strongest Basic) 13.07 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 53.8 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 151.89 m3·mol-1 Chemaxon Polarizability 55.32 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0001900000-db028d2667749428d70e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-2b7a86ef0276d8bbde2f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0229400000-ddee6d2f1f1a3e547467 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0059-4000900000-01a9193c9f62d6cd1dc6 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0319300000-a0985a5ee516514340e8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9004700000-84743fcfa376650ea15a 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]- 216.75046 predictedDeepCCS 1.0 (2019) [M+H]+ 219.10847 predictedDeepCCS 1.0 (2019) [M+Na]+ 225.75941 predictedDeepCCS 1.0 (2019)
Drug created at June 17, 2014 18:42 / Updated at February 21, 2021 18:52