This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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
Structure for Butylphthalide (DB12749)
- 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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Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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. Acetylsalicylic acid Acetylsalicylic acid may increase the antiplatelet activities of Butylphthalide. Alclofenac The risk or severity of bleeding can be increased when Alclofenac is combined with Butylphthalide. Aldesleukin The risk or severity of bleeding can be increased when Butylphthalide is combined with Aldesleukin. Alemtuzumab The risk or severity of bleeding can be increased when Butylphthalide is combined with Alemtuzumab. Alteplase The risk or severity of bleeding can be increased when Butylphthalide is combined with Alteplase. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - 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
Phase Status Purpose Conditions Count 4 Completed Treatment Acute Ischemic Stroke 1 4 Recruiting Treatment Central Nervous System Disorder / Cerebral Infarctions / Cerebral Ischemia / Diseases of the Nervous System / Infarction, Brain / Stroke / Vascular Diseases 1 4 Unknown Status Prevention Cerebral Infarctions / Collateral Circulation / Large-artery Occlusion 1 4 Unknown Status Prevention Stroke / Transient Ischemic Attack 1 3 Completed Prevention Restenosis 1 3 Completed Treatment Acute Ischemic Stroke 1 3 Not Yet Recruiting Diagnostic Ischemic Cerebral Infarction / Ischemic Cerebrovascular Accident / Ischemic Stroke / Moyamoya Disease / Transient Ischemic Attack 1 3 Recruiting Treatment Vascular Dementia (VaD) 1 2, 3 Unknown Status Treatment Vascular Cognitive Impairment no Dementia 1 Not Available Active Not Recruiting Treatment Ischemic Stroke / Neuroprotection 1
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 Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 00:01 / Updated at July 18, 2023 22:57