Butylphthalide
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Butylphthalide
- DrugBank Accession Number
- DB12749
- Background
Butylphthalide has been used in trials studying the prevention of Restenosis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 190.2384
Monoisotopic: 190.099379692 - Chemical Formula
- C12H14O2
- Synonyms
- (±)-3-BUTYLPHTHALIDE
- 3-BUTYLPHTHALIDE
- 3-n-butylphthalide
- 3-N-BUTYLPHTHALIDE [FHFI]
- Butylphthalide
- DL-3-n-butylphthalide
- PHTHALIDE, 3-BUTYL-
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 softwareAbciximab The risk or severity of bleeding can be increased when Butylphthalide is combined with Abciximab. Abrocitinib The risk or severity of bleeding and thrombocytopenia can be increased when Butylphthalide is combined with Abrocitinib. Aceclofenac The risk or severity of bleeding can be increased when Aceclofenac is combined with Butylphthalide. Acemetacin The risk or severity of bleeding can be increased when Acemetacin is combined with Butylphthalide. Acenocoumarol The risk or severity of bleeding can be increased when Butylphthalide is combined with Acenocoumarol. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzofurans
- Sub Class
- Benzofuranones
- Direct Parent
- Benzofuranones
- Alternative Parents
- Phthalides / Benzenoids / Lactones / Carboxylic acid esters / Oxacyclic compounds / Monocarboxylic acids and derivatives / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Aromatic heteropolycyclic compound / Benzenoid / Benzofuranone / Carboxylic acid derivative / Carboxylic acid ester / Hydrocarbon derivative / Isobenzofuranone / Isocoumaran / Lactone / Monocarboxylic acid or derivatives
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 822Q956KGM
- CAS number
- 6066-49-5
- InChI Key
- HJXMNVQARNZTEE-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
- IUPAC Name
- 3-butyl-1,3-dihydro-2-benzofuran-1-one
- SMILES
- CCCCC1OC(=O)C2=C1C=CC=C2
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0032064
- PubChem Compound
- 61361
- PubChem Substance
- 347828938
- ChemSpider
- 55293
- 1484499
- ChEBI
- 177504
- ChEMBL
- CHEMBL248594
- Wikipedia
- Butylphthalide
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Active Not Recruiting Treatment Ischemic Stroke / Neuroprotection 1 somestatus stop reason just information to hide Not Available Completed Not Available Alzheimer's Disease (AD) 1 somestatus stop reason just information to hide Not Available Not Yet Recruiting Treatment Acute Ischemic Stroke / Intracranial Atherosclerosis 1 somestatus stop reason just information to hide Not Available Recruiting Treatment Intravascular Thrombosis / Ischemic Stroke / Mechanical Thrombectomy 1 somestatus stop reason just information to hide Not Available Unknown Status Treatment Cerebral Small Vessels Disease 1 somestatus stop reason just information to hide
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 0.0654 mg/mL ALOGPS logP 3 ALOGPS logP 3.36 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 13.93 Chemaxon pKa (Strongest Basic) -6.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 54.78 m3·mol-1 Chemaxon Polarizability 21.29 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 splash10-0006-9700000000-a60db6c280b6eaa60eb1 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-1900000000-41213fd27b729e6029ef Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0900000000-7f4476c2b71700cf1786 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0007-7900000000-00de918d13ec16c217e4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-2900000000-3b03f5d0915571c7e7fe Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0q4i-5900000000-6ef68fb42271d2cd78f9 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0pxu-1900000000-c73cc735ccd34d76433c 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]- 149.888569 predictedDarkChem Lite v0.1.0 [M-H]- 143.99776 predictedDeepCCS 1.0 (2019) [M+H]+ 149.802369 predictedDarkChem Lite v0.1.0 [M+H]+ 147.80846 predictedDeepCCS 1.0 (2019) [M+Na]+ 149.772469 predictedDarkChem Lite v0.1.0 [M+Na]+ 156.8098 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:01 / Updated at July 18, 2023 22:57