This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Vinyl ether
- DrugBank Accession Number
- DB13690
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Vinyl ether (DB13690)
- Weight
- Average: 70.091
Monoisotopic: 70.041864813 - Chemical Formula
- C4H6O
- Synonyms
- Not Available
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 Vinyl ether. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Vinyl ether. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Vinyl ether. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Vinyl ether. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Vinyl ether. - Food Interactions
- Not Available
Categories
- ATC Codes
- N01AA02 — Vinyl ether
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen atom.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Not Available
- Direct Parent
- Organooxygen compounds
- Alternative Parents
- Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Hydrocarbon derivative / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- ether (CHEBI:81293)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2H2T044E11
- CAS number
- 109-93-3
- InChI Key
- QYKIQEUNHZKYBP-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2
- IUPAC Name
- (ethenyloxy)ethene
- SMILES
- C=COC=C
References
- General References
- Not Available
- External Links
- KEGG Compound
- C17721
- ChemSpider
- 7733
- ChEBI
- 81293
- ChEMBL
- CHEMBL2105883
- ZINC
- ZINC000002012764
- Wikipedia
- Vinyl_ether
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 2.8 mg/mL ALOGPS logP 1.43 ALOGPS logP 1.13 Chemaxon logS -1.4 ALOGPS pKa (Strongest Basic) -5.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 9.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 20.4 m3·mol-1 Chemaxon Polarizability 7.55 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-004i-9000000000-1af296622177b648d97a Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-006t-9000000000-2ec4ecbcf55d0572784e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-006t-9000000000-881644d3fae300f119b7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014l-9000000000-73fb6a8c1446fc20c11b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-f55d4d05914b5aef1010 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-276b816a931ff24e67f2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-dc41ab9fbd3ded14fd82 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]- 121.06732 predictedDeepCCS 1.0 (2019) [M+H]+ 102.9373416 predictedDarkChem Lite v0.1.0 [M+H]+ 123.127205 predictedDeepCCS 1.0 (2019) [M+Na]+ 102.5904416 predictedDarkChem Lite v0.1.0 [M+Na]+ 131.29567 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at June 12, 2020 16:53