Apronalide
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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
- Apronalide
- DrugBank Accession Number
- DB13221
- Background
Apronalide is approved in Japan. Apronalide has been withdrawn from the market in many other countries due to patient development of thrombocytopenic purpura 1.
- Type
- Small Molecule
- Groups
- Approved
- Structure
- Weight
- Average: 184.239
Monoisotopic: 184.121177763 - Chemical Formula
- C9H16N2O2
- Synonyms
- Apronal
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 Apronalide. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Apronalide. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Apronalide. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Apronalide. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Apronalide. - Food Interactions
- Not Available
Categories
- ATC Codes
- N05CM12 — Apronal
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl group.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic carbonic acids and derivatives
- Sub Class
- Ureas
- Direct Parent
- N-acyl ureas
- Alternative Parents
- N-acyl amines / Dicarboximides / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Hydrocarbon derivative / N-acyl urea / N-acyl-amine / Organic nitrogen compound / Organic oxide / Organic oxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V18J24E25E
- CAS number
- 528-92-7
- InChI Key
- KSUUMAWCGDNLFK-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)
- IUPAC Name
- [2-(propan-2-yl)pent-4-enoyl]urea
- SMILES
- CC(C)C(CC=C)C(=O)NC(N)=O
References
- General References
- GRANT DK: Diagnosis of sedormid purpura. Br Med J. 1953 Jul 18;2(4828):128-31. [Article]
- External Links
- ChemSpider
- 10264
- ChEBI
- 134827
- ChEMBL
- CHEMBL509282
- Wikipedia
- Apronal
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 7.52 mg/mL ALOGPS logP 0.83 ALOGPS logP 1.19 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 11.75 Chemaxon pKa (Strongest Basic) -6.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 72.19 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 50.31 m3·mol-1 Chemaxon Polarizability 19.82 Å3 Chemaxon Number of Rings 0 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 splash10-0006-9400000000-829980720b1cc9920b64 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-052b-9300000000-1431d7d982ead3efbf67 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9300000000-2fc3bc508c5e9a74246e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0apj-9200000000-276312df5b7646c36002 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-16489a8ad9e39439e9cc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0kcr-9000000000-47da42908b44dd15d14b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-16c904b0457c639796cb 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]- 141.02257 predictedDeepCCS 1.0 (2019) [M+H]+ 143.39095 predictedDeepCCS 1.0 (2019) [M+Na]+ 152.15627 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:38 / Updated at June 12, 2020 16:53