Phenyl aminosalicylate

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

Identification

Generic Name
Phenyl aminosalicylate
DrugBank Accession Number
DB06807
Background

Not Available

Type
Small Molecule
Groups
Approved
Structure
Weight
Average: 229.235
Monoisotopic: 229.073893218
Chemical Formula
C13H11NO3
Synonyms
  • Fenamisal
  • Fenamisalum
  • p-Aminosalol
  • Phenyl 4-aminosalicylate
  • Phenyl aminosalicylate
  • Phenyl PAS
External IDs
  • NSC-40144

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
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.
AcenocoumarolPhenyl aminosalicylate may increase the anticoagulant activities of Acenocoumarol.
AcetaminophenThe risk or severity of adverse effects can be increased when Acetaminophen is combined with Phenyl aminosalicylate.
Food Interactions
Not Available

Categories

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
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
1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Amine / Amino acid or derivatives / Aminobenzoic acid or derivatives / Aminophenol / Aminosalicylic acid or derivatives / Aniline or substituted anilines / Aromatic homomonocyclic compound / Benzenoid
show 23 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
52936SIP7V
CAS number
133-11-9
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

References

General References
Not Available
ChemSpider
8290
ChEBI
114203
ChEMBL
CHEMBL1200868
ZINC
ZINC000000119905

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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/MSsplash10-000i-2900000000-5ecd640930341f999bca
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0930000000-d6df535893afee279412
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-8290000000-b24bebee98bab910d798
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-2900000000-6d85e84d1ff804dff1e3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0mi6-9230000000-a29e0627a7bc22c558ba
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kr-6910000000-db630fe931fa5b9f7af4
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]-161.1587368
predicted
DarkChem Lite v0.1.0
[M-H]-150.13692
predicted
DeepCCS 1.0 (2019)
[M+H]+162.2598368
predicted
DarkChem Lite v0.1.0
[M+H]+152.53249
predicted
DeepCCS 1.0 (2019)
[M+Na]+158.46495
predicted
DeepCCS 1.0 (2019)

Drug created at September 14, 2010 16:21 / Updated at February 21, 2021 18:52