Kebuzone

Identification

Name
Kebuzone
Accession Number
DB08940
Type
Small Molecule
Groups
Experimental
Description

Kebuzone (also known as ketophenylbutazone ) is a non-steroidal anti-inflammatory drug.

Structure
Thumb
Synonyms
  • ketophenylbutazone
Categories
UNII
4VD83UL6Y6
CAS number
853-34-9
Weight
Average: 322.3578
Monoisotopic: 322.131742452
Chemical Formula
C19H18N2O3
InChI Key
LGYTZKPVOAIUKX-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
IUPAC Name
4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione
SMILES
CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=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
(4R)-limoneneThe risk or severity of adverse effects can be increased when (4R)-limonene is combined with Kebuzone.
16-BromoepiandrosteroneThe risk or severity of adverse effects can be increased when Kebuzone is combined with 16-Bromoepiandrosterone.
19-norandrostenedioneThe risk or severity of adverse effects can be increased when Kebuzone is combined with 19-norandrostenedione.
5-androstenedioneThe risk or severity of adverse effects can be increased when Kebuzone is combined with 5-androstenedione.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Kebuzone is combined with Abciximab.
AcebutololKebuzone may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Kebuzone is combined with Aceclofenac.
AcemetacinThe risk or severity of adverse effects can be increased when Kebuzone is combined with Acemetacin.
AcenocoumarolThe risk or severity of bleeding and hemorrhage can be increased when Kebuzone is combined with Acenocoumarol.
AcetaminophenKebuzone may decrease the excretion rate of Acetaminophen which could result in a higher serum level.
Food Interactions
Not Available

References

General References
  1. Maurer HH, Tauvel FX, Kraemer T: Screening procedure for detection of non-steroidal anti-inflammatory drugs and their metabolites in urine as part of a systematic toxicological analysis procedure for acidic drugs and poisons by gas chromatography-mass spectrometry after extractive methylation. J Anal Toxicol. 2001 May-Jun;25(4):237-44. [PubMed:11386636]
External Links
Human Metabolome Database
HMDB0041914
KEGG Drug
D01567
PubChem Compound
3824
PubChem Substance
310264907
ChemSpider
3692
ChEBI
31749
ChEMBL
CHEMBL2107720
Wikipedia
Kebuzone
ATC Codes
M01AA06 — Kebuzone

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 Solubility0.113 mg/mLALOGPS
logP1.99ALOGPS
logP2.7ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)4.17ChemAxon
pKa (Strongest Basic)-7.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area57.69 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity89.37 m3·mol-1ChemAxon
Polarizability33.64 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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Not Available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Pyrazolidinones / 1,3-dicarbonyl compounds / Ketones / Carboxylic acid hydrazides / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Monocyclic benzene moiety / Pyrazolidinone / 1,3-dicarbonyl compound / Pyrazolidine / Carboxylic acid hydrazide / Ketone / Organoheterocyclic compound / Carboxylic acid derivative / Azacycle / Organic oxide
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
pyrazolidines, methyl ketone (CHEBI:31749)

Drug created on May 26, 2014 15:08 / Updated on October 01, 2018 14:44