Phenyl aminosalicylate

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

Identification

Name
Phenyl aminosalicylate
Accession Number
DB06807
Type
Small Molecule
Groups
Approved
Description
Not Available
Structure
Thumb
Synonyms
  • Fenamisal
  • Fenamisalum
  • p-Aminosalol
  • Phenyl 4-aminosalicylate
  • Phenyl PAS
External IDs
NSC-40144
Categories
UNII
52936SIP7V
CAS number
133-11-9
Weight
Average: 229.235
Monoisotopic: 229.073893218
Chemical Formula
C13H11NO3
InChI Key
DNVVZWSVACQWJE-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2
IUPAC Name
phenyl 4-amino-2-hydroxybenzoate
SMILES
NC1=CC(O)=C(C=C1)C(=O)OC1=CC=CC=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
DrugInteraction
(R)-warfarinThe risk or severity of bleeding can be increased when Phenyl aminosalicylate is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Phenyl aminosalicylate is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of renal failure can be increased when Phenyl aminosalicylate is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
2,4-thiazolidinedionePhenyl aminosalicylate may increase the hypoglycemic activities of 2,4-thiazolidinedione.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Phenyl aminosalicylate is combined with 4-hydroxycoumarin.
AbciximabThe risk or severity of bleeding can be increased when Phenyl aminosalicylate is combined with Abciximab.
AcarbosePhenyl aminosalicylate may increase the hypoglycemic activities of Acarbose.
AceclofenacThe therapeutic efficacy of Phenyl aminosalicylate can be decreased when used in combination with Aceclofenac.
AcenocoumarolThe risk or severity of bleeding can be increased when Phenyl aminosalicylate is combined with Acenocoumarol.
AcetazolamideThe risk or severity of adverse effects can be increased when Phenyl aminosalicylate is combined with Acetazolamide.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
8290
ChEBI
114203
ChEMBL
CHEMBL1200868

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
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.173 mg/mLALOGPS
logP3.03ALOGPS
logP3.15ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)9.87ChemAxon
pKa (Strongest Basic)2.32ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area72.55 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity64.54 m3·mol-1ChemAxon
Polarizability23.52 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
o-Hydroxybenzoic acid esters / Aminosalicylic acids and derivatives / Aminobenzoic acids and derivatives / Phenol esters / Phenoxy compounds / Benzoyl derivatives / Aniline and substituted anilines / m-Aminophenols / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids
show 9 more
Substituents
Depside backbone / Aminosalicylic acid or derivatives / O-hydroxybenzoic acid ester / Aminobenzoic acid or derivatives / Benzoate ester / Phenol ester / Salicylic acid or derivatives / Benzoic acid or derivatives / M-aminophenol / Aniline or substituted anilines
show 23 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on September 14, 2010 10:21 / Updated on November 02, 2018 06:21