Amfenac

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

Identification

Generic Name
Amfenac
DrugBank Accession Number
DB15911
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 255.273
Monoisotopic: 255.089543283
Chemical Formula
C15H13NO3
Synonyms
  • (2-Amino-3-benzoylphenyl)acetic acid
  • Amfenac
  • Amfenaco
  • Amfenacum
External IDs
  • NSC 309467

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Treatment ofInflammatory reaction•••••••••••••••••••
Treatment ofPain•••••••••••••••••••
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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Amfenac sodium anhydrousC20288EWAG61941-56-8MJAQSCHBMPGJES-UHFFFAOYSA-M

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
28O5C1J38A
CAS number
51579-82-9
InChI Key
SOYCMDCMZDHQFP-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)
IUPAC Name
2-(2-amino-3-benzoylphenyl)acetic acid
SMILES
NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
2051
BindingDB
50225110
ChEBI
75915
ChEMBL
CHEMBL25146
ZINC
ZINC000000000909
PharmGKB
PA166049186
Wikipedia
Amfenac

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule50 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0359 mg/mLALOGPS
logP2.4ALOGPS
logP2.89Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.95Chemaxon
pKa (Strongest Basic)1.77Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area80.39 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity72.64 m3·mol-1Chemaxon
Polarizability26.13 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/MSsplash10-0a4i-0190000000-d5454df6aa16c4b76e4a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0930000000-d10028da64c4eaba80bd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0390000000-eec6442abb50449488f1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-9800000000-39714a3f62d9824c4bcb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0r00-0390000000-ba124ff5c68f24ddb10f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06sr-1960000000-aa5b87df956aa54640d0
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]-167.4471661
predicted
DarkChem Lite v0.1.0
[M+H]+167.4692661
predicted
DarkChem Lite v0.1.0
[M+Na]+167.1882661
predicted
DarkChem Lite v0.1.0

Drug created at November 20, 2020 19:02 / Updated at February 21, 2021 18:55