NAV

Benorilate

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
3D
Similar Structures
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
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AbacavirBenorilate may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Benorilate is combined with Abciximab.
AcebutololBenorilate may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Benorilate.
AcemetacinThe risk or severity of adverse effects can be increased when Benorilate is combined with Acemetacin.
Food Interactions
Not Available

Products

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Categories

ATC Codes
N02BA10 — Benorilate
Drug Categories
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
ChemSpider
19846
RxNav
1372
ChEBI
135340
ChEMBL
CHEMBL162036
ZINC
ZINC000000001003
Wikipedia
Benorilate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Suppository
Tablet
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0141 mg/mLALOGPS
logP2.62ALOGPS
logP2.48Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)14.66Chemaxon
pKa (Strongest Basic)-4.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area81.7 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity83.86 m3·mol-1Chemaxon
Polarizability31.93 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0w90-2494000000-378bda7e1d42d5477020
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1950000000-dc1b2269b5bb8f544107
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1190000000-b56a32dc2ca98656a701
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fmi-0190000000-d61753716391f4ca42ee
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-6960000000-5c179a3d3eb07b50eae7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0940000000-805d4e9ce575e43e464c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-191.2218207
predicted
DarkChem Lite v0.1.0
[M-H]-167.6565
predicted
DeepCCS 1.0 (2019)
[M+H]+192.2235207
predicted
DarkChem Lite v0.1.0
[M+H]+170.01451
predicted
DeepCCS 1.0 (2019)
[M+Na]+191.0519207
predicted
DarkChem Lite v0.1.0
[M+Na]+176.52238
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54