Vinylbital
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Vinylbital
- DrugBank Accession Number
- DB13770
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 224.26
Monoisotopic: 224.116092383 - Chemical Formula
- C11H16N2O3
- Synonyms
- Vinilbital
- Vinylbital
- Vinylbitalum
- External IDs
- JD-96
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.
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 Vinylbital. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Vinylbital. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Vinylbital. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Vinylbital. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Vinylbital. - 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.
- International/Other Brands
- Bykonox / Speda
Categories
- ATC Codes
- N05CA08 — Vinylbital
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazines
- Sub Class
- Pyrimidines and pyrimidine derivatives
- Direct Parent
- Barbituric acid derivatives
- Alternative Parents
- N-acyl ureas / Diazinanes / Dicarboximides / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- 1,3-diazinane / Aliphatic heteromonocyclic compound / Azacycle / Barbiturate / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Hydrocarbon derivative / N-acyl urea
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3W58ITX06Q
- CAS number
- 2430-49-1
- InChI Key
- KGKJZEKQJQQOTD-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)
- IUPAC Name
- 5-ethenyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione
- SMILES
- CCCC(C)C1(C=C)C(=O)NC(=O)NC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 65109
- 19928
- ChEBI
- 134922
- ChEMBL
- CHEMBL2105552
- Wikipedia
- Vinylbital
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 1.77 mg/mL ALOGPS logP 1.76 ALOGPS logP 1.59 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 7.14 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 75.27 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 58.05 m3·mol-1 Chemaxon Polarizability 22.71 Å3 Chemaxon Number of Rings 1 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4l-6910000000-45c002b8e7e2cacf8e9c Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0790000000-7f12c05137c3e155a0d8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00dj-6980000000-a74762a034708021f8fe Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-3900000000-dca66e3566f2b792345b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9200000000-3fe7f79053f3a4971e1c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9300000000-679f988e32d95c67e42e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ap0-0910000000-acb5dadbbe5ae5f55717 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]- 155.78009 predictedDeepCCS 1.0 (2019) [M+H]+ 158.1381 predictedDeepCCS 1.0 (2019) [M+Na]+ 165.38277 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:48 / Updated at June 12, 2020 16:53