Identification
- Generic Name
- Dexetimide
- DrugBank Accession Number
- DB08997
- Background
A muscarinic antagonist that has been used to treat neuroleptic-induced parkinsonism. Benzetimide is the (-)-enantimorph of dexetimide.
- Type
- Small Molecule
- Groups
- Withdrawn
- Structure
Structure for Dexetimide (DB08997)
- Weight
- Average: 362.4647
Monoisotopic: 362.199428086 - Chemical Formula
- C23H26N2O2
- Synonyms
- Dexetimida
- Dexetimide
- Dexetimidum
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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 softwareAclidinium The risk or severity of adverse effects can be increased when Dexetimide is combined with Aclidinium. Adenosine The risk or severity of Tachycardia can be increased when Adenosine is combined with Dexetimide. Alfentanil The risk or severity of adverse effects can be increased when Dexetimide is combined with Alfentanil. Alloin The therapeutic efficacy of Alloin can be decreased when used in combination with Dexetimide. Amantadine The risk or severity of adverse effects can be increased when Amantadine is combined with Dexetimide. - 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 Dexetimide hydrochloride B987A3XX7D 21888-96-0 XSOOSXRNMDUWEM-GNAFDRTKSA-N - International/Other Brands
- Tremblex
Categories
- ATC Codes
- N04AA08 — Dexetimide
- Drug Categories
- Agents producing tachycardia
- Anti-Dyskinesia Agents
- Anti-Parkinson Drugs
- Anticholinergic Agents
- Autonomic Agents
- Central Nervous System Agents
- Cholinergic Agents
- Muscarinic Antagonists
- Nervous System
- Neurotransmitter Agents
- Parasympatholytics
- Peripheral Nervous System Agents
- Piperidines
- Piperidones
- Tertiary Amines
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Benzylpiperidines
- Direct Parent
- N-benzylpiperidines
- Alternative Parents
- Phenylmethylamines / Benzylamines / Tetrahydropyridines / Aralkylamines / Trialkylamines / N-acylimines / Lactims / Amino acids and derivatives / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds show 4 more
- Substituents
- Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Benzylamine / Carbonyl group / Carboxylic acid derivative / Hydrocarbon derivative show 17 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 43477QYX3D
- CAS number
- 21888-98-2
- InChI Key
- LQQIVYSCPWCSSD-HSZRJFAPSA-N
- InChI
- InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1
- IUPAC Name
- (3S)-1'-benzyl-3-phenyl-[3,4'-bipiperidine]-2,6-dione
- SMILES
- O=C1CC[C@@](C2CCN(CC3=CC=CC=C3)CC2)(C(=O)N1)C1=CC=CC=C1
References
- Synthesis Reference
U.S. Patent 3,125,578.
- General References
- Not Available
- External Links
- PubChem Compound
- 30843
- PubChem Substance
- 310264958
- ChemSpider
- 28615
- BindingDB
- 50228206
- 3267
- ChEBI
- 135531
- ChEMBL
- CHEMBL1908364
- ZINC
- ZINC000006927490
- Wikipedia
- Dexetimide
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 299-301.5 U.S. Patent 3,125,578. - Predicted Properties
Property Value Source Water Solubility 0.00469 mg/mL ALOGPS logP 3.54 ALOGPS logP 3.38 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 11.69 Chemaxon pKa (Strongest Basic) 8.66 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 49.41 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 106.34 m3·mol-1 Chemaxon Polarizability 40.52 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-03di-0009000000-f895dd5157dd679f7a7a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-cafa3399f36bb6cc192d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03du-0449000000-b02790f5d9c72bec082b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0119000000-fcbcbddfa0f54a0f5299 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03dl-5595000000-03573933d1c17f67b490 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0296-2491000000-5e345ee6d17c2548baa2 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]- 182.37608 predictedDeepCCS 1.0 (2019) [M+H]+ 184.73409 predictedDeepCCS 1.0 (2019) [M+Na]+ 191.64095 predictedDeepCCS 1.0 (2019)
Drug created at June 16, 2014 19:39 / Updated at February 21, 2021 18:52