This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Benorilate
- DrugBank Accession Number
- DB13657
- Background
Not Available
- Type
- Small Molecule
- Groups
- Approved
- Structure
Structure for Benorilate (DB13657)
- Weight
- Average: 313.309
Monoisotopic: 313.095022587 - Chemical Formula
- C17H15NO5
- Synonyms
- 4-acetamidophenyl salicylate acetate
- Bénorilate
- Benorilate
- Benorilato
- Fenasprate
- External IDs
- WIN 11450
- WIN-11450
Pharmacology
- Indication
Not Available
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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 softwareAbacavir Benorilate may decrease the excretion rate of Abacavir which could result in a higher serum level. Abciximab The risk or severity of bleeding and hemorrhage can be increased when Benorilate is combined with Abciximab. Acebutolol Benorilate may decrease the antihypertensive activities of Acebutolol. Aceclofenac The risk or severity of adverse effects can be increased when Aceclofenac is combined with Benorilate. Acemetacin The risk or severity of adverse effects can be increased when Benorilate is combined with Acemetacin. Acenocoumarol The risk or severity of bleeding and hemorrhage can be increased when Benorilate is combined with Acenocoumarol. Acetaminophen The risk or severity of adverse effects can be increased when Acetaminophen is combined with Benorilate. Acetohexamide The protein binding of Acetohexamide can be decreased when combined with Benorilate. Acetylsalicylic acid The risk or severity of adverse effects can be increased when Acetylsalicylic acid is combined with Benorilate. Aclidinium Benorilate may decrease the excretion rate of Aclidinium which could result in a higher serum level. 
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- Not Available
Products
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Categories
- ATC Codes
- N02BA10 — Benorilate
- Drug Categories
- Acids, Carbocyclic
- Agents causing hyperkalemia
- Agents that produce hypertension
- Amides
- Amines
- Analgesics
- Analgesics, Non-Narcotic
- Anilides
- Aniline Compounds
- Anti-Inflammatory Agents
- Anti-Inflammatory Agents, Non-Steroidal
- Antirheumatic Agents
- Benzene Derivatives
- Benzoates
- Hydroxy Acids
- Hydroxybenzoates
- Nephrotoxic agents
- Nervous System
- Non COX-2 selective NSAIDS
- Peripheral Nervous System Agents
- Phenols
- Salicylic Acid and Derivatives
- Sensory System Agents
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Depsides and depsidones
- Sub Class
- Not Available
- Direct Parent
- Depsides and depsidones
- Alternative Parents
- Acylsalicylic acids and derivatives / Phenol esters / Benzoic acid esters / Acetanilides / N-acetylarylamines / Phenoxy compounds / Benzoyl derivatives / Dicarboxylic acids and derivatives / Acetamides / Secondary carboxylic acid amides show 5 more
- Substituents
- Acetamide / Acetanilide / Acylsalicylic acid or derivatives / Anilide / Aromatic homomonocyclic compound / Benzenoid / Benzoate ester / Benzoic acid or derivatives / Benzoyl / Carbonyl group show 18 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- W1QX9DV96G
- CAS number
- 5003-48-5
- InChI Key
- FEJKLNWAOXSSNR-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
- IUPAC Name
- 4-acetamidophenyl 2-(acetyloxy)benzoate
- SMILES
- CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2OC(C)=O)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 19846
- 1372
- ChEBI
- 135340
- ChEMBL
- CHEMBL162036
- ZINC
- ZINC000000001003
- Wikipedia
- Benorilate
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Suppository Tablet - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0141 mg/mL ALOGPS logP 2.62 ALOGPS logP 2.48 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 14.66 Chemaxon pKa (Strongest Basic) -4.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 81.7 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 83.86 m3·mol-1 Chemaxon Polarizability 31.93 Å3 Chemaxon Number of Rings 2 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 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 June 23, 2017 20:46 / Updated at February 21, 2021 18:54