Oxolinic acid

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

Identification

Generic Name
Oxolinic acid
DrugBank Accession Number
DB13627
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 261.2301
Monoisotopic: 261.063722467
Chemical Formula
C13H11NO5
Synonyms
  • ácido oxolínico
  • Oxolinic acid
External IDs
  • NSC-110364
  • W 4565
  • W-4565

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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
AcarboseThe therapeutic efficacy of Acarbose can be increased when used in combination with Oxolinic acid.
AcebutololThe risk or severity of QTc prolongation can be increased when Oxolinic acid is combined with Acebutolol.
AceclofenacAceclofenac may increase the neuroexcitatory activities of Oxolinic acid.
AcemetacinAcemetacin may increase the neuroexcitatory activities of Oxolinic acid.
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Oxolinic acid.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be increased when used in combination with Oxolinic acid.
Acetylsalicylic acidAcetylsalicylic acid may increase the neuroexcitatory activities of Oxolinic acid.
AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Oxolinic acid.
AdenosineThe risk or severity of QTc prolongation can be increased when Oxolinic acid is combined with Adenosine.
AjmalineThe risk or severity of QTc prolongation can be increased when Ajmaline is combined with Oxolinic acid.
Interactions
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Food Interactions
Not Available

Products

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Categories

ATC Codes
J01MB05 — Oxolinic acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Quinoline carboxylic acids
Direct Parent
Quinoline carboxylic acids
Alternative Parents
Hydroquinolones / Hydroquinolines / Pyridinecarboxylic acids / Benzodioxoles / Benzenoids / Vinylogous amides / Heteroaromatic compounds / Acetals / Azacyclic compounds / Oxacyclic compounds
show 6 more
Substituents
Acetal / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzodioxole / Carboxylic acid / Carboxylic acid derivative / Dihydroquinoline / Dihydroquinolone / Heteroaromatic compound
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
organic heterotricyclic compound, oxacycle, quinolone antibiotic, quinolinemonocarboxylic acid, aromatic carboxylic acid (CHEBI:138856) / Quinone fungicides (C11342)
Affected organisms
Not Available

Chemical Identifiers

UNII
L0A22B22FT
CAS number
14698-29-4
InChI Key
KYGZCKSPAKDVKC-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
IUPAC Name
5-ethyl-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILES
CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12

References

General References
Not Available
KEGG Drug
D02301
KEGG Compound
C11342
ChemSpider
4467
RxNav
7798
ChEBI
138856
ChEMBL
CHEMBL416755
ZINC
ZINC000000001875
PDBe Ligand
OXI
Wikipedia
Oxolinic_acid
PDB Entries
1kse

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.91 mg/mLALOGPS
logP0.86ALOGPS
logP1.35ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)5.58ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area76.07 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity65.84 m3·mol-1ChemAxon
Polarizability25.52 Å3ChemAxon
Number of Rings3ChemAxon
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
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03di-0090000000-42a1a31f158e9bef1a7d
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03di-0790000000-0196f4b3fe02d848ac04
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03di-0920000000-8df3687ee0c2e91f987f
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03di-0090000000-24298432855bfc523660
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03di-0090000000-0511184317d1b6d18d3f
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03di-0090000000-95faf056ba91e8007c9b
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03dl-0290000000-db6274d8128c051d14b8
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03e9-0960000000-c51deba0c41087d2cab2
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-03e9-0910000000-bb9589ba074c27740963
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0ho0-4900000000-a825bf27d8d3c0aee71f
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-02di-9500000000-bccf49f73f4aeba1dfa3
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-004i-9100000000-55f0b933bb95b8ac1a52

Drug created on June 23, 2017 20:45 / Updated on February 21, 2021 18:54