Ibuproxam

Identification

Name
Ibuproxam
Accession Number
DB08955
Type
Small Molecule
Groups
Withdrawn
Description

Ibuproxam is a non steroidal anti-inflammatory drug (NSAID).

Structure
Thumb
Synonyms
  • ibuproxam
International/Other Brands
Ibudros (Lucchini Laboratoire)
Categories
UNII
O3LD16O96Z
CAS number
53648-05-8
Weight
Average: 221.2955
Monoisotopic: 221.141578857
Chemical Formula
C13H19NO2
InChI Key
BYPIURIATSUHDW-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)
IUPAC Name
N-hydroxy2-[4-(2-methylpropyl)phenyl]propanimidic acid
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(O)=NO

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 and hemorrhage can be increased when Ibuproxam is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding and hemorrhage can be increased when Ibuproxam is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Ibuproxam is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
1-benzylimidazoleThe risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Ibuproxam.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of hypertension can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Ibuproxam.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of hypertension can be increased when Ibuproxam is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-MethylenedioxyamphetamineThe risk or severity of hypertension can be increased when 3,4-Methylenedioxyamphetamine is combined with Ibuproxam.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Ibuproxam.
4-hydroxycoumarinThe risk or severity of bleeding and hemorrhage can be increased when Ibuproxam is combined with 4-hydroxycoumarin.
4-MethoxyamphetamineThe risk or severity of hypertension can be increased when 4-Methoxyamphetamine is combined with Ibuproxam.
Food Interactions
Not Available

References

Synthesis Reference

U.S. Patent 4,082,707.

General References
  1. Orzalesi G, Mari F, Bertol E, Selleri R, Pisaturo G: Anti-inflammatory agents: determination of ibuproxam and its metabolite humans. Correlation between bioavailability, tolerance and chemico-physical characteristics. Arzneimittelforschung. 1980;30(9):1607-9. [PubMed:7193032]
External Links
KEGG Drug
D07268
PubChem Compound
68704
PubChem Substance
310264920
ChemSpider
61955
BindingDB
50012894
ChEBI
76160
ChEMBL
CHEMBL292707
Wikipedia
Ibuproxam
ATC Codes
M01AE13 — Ibuproxam

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
PropertyValueSource
melting point (°C)119-121U.S. Patent 4,082,707.
Predicted Properties
PropertyValueSource
Water Solubility0.0682 mg/mLALOGPS
logP3.17ALOGPS
logP3.85ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)6.67ChemAxon
pKa (Strongest Basic)1.07ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area52.82 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity64.84 m3·mol-1ChemAxon
Polarizability25.41 Å3ChemAxon
Number of Rings1ChemAxon
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 aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Monoterpenoids
Direct Parent
Aromatic monoterpenoids
Alternative Parents
Monocyclic monoterpenoids / Phenylpropanes / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Monocyclic monoterpenoid / Aromatic monoterpenoid / P-cymene / Phenylpropane / Benzenoid / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Hydrocarbon derivative
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
hydroxamic acid (CHEBI:76160)

Drug created on May 28, 2014 13:10 / Updated on November 02, 2018 06:56