Benorilate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Benorilate
Accession Number
DB13657
Type
Small Molecule
Groups
Approved
Description
Not Available
Structure
Thumb
Synonyms
  • 4-acetamidophenyl salicylate acetate
  • Bénorilate
  • Benorilato
  • Fenasprate
External IDs
WIN 11450 / WIN-11450
Categories
UNII
W1QX9DV96G
CAS number
5003-48-5
Weight
Average: 313.309
Monoisotopic: 313.095022587
Chemical Formula
C17H15NO5
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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
(R)-warfarinThe risk or severity of bleeding and hemorrhage can be increased when Benorilate is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding and hemorrhage can be increased when Benorilate is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of hypertension can be increased when 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid is combined with Benorilate.
1-benzylimidazoleThe risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Benorilate.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of hypertension can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Benorilate.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of hypertension can be increased when Benorilate is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Benorilate.
4-hydroxycoumarinThe risk or severity of bleeding and hemorrhage can be increased when Benorilate is combined with 4-hydroxycoumarin.
4-MethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Methoxyamphetamine is combined with Benorilate.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of hypertension can be increased when Benorilate is combined with 5-methoxy-N,N-dimethyltryptamine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
19846
ChEBI
135340
ChEMBL
CHEMBL162036
Wikipedia
Benorilate
ATC Codes
N02BA10 — Benorilate

Clinical Trials

Clinical Trials
Not Available

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
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, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Depside backbone / Acylsalicylic acid or derivatives / Acetanilide / Benzoate ester / Phenol ester / Benzoic acid or derivatives / N-acetylarylamine / Anilide / Phenoxy compound / Benzoyl
show 18 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:46 / Updated on September 02, 2019 20:04