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Chemical substance record

Ibuproxam

53648-05-8C13H19NO2221.3 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A hydroxamic acid obtained by formal condensation of the carboxy group of ibuprofen with the amino group of hydroxylamine. Used for treatment of pain and inflammation associated with musculoskeletal and joint disorders. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number53648-05-8ChEBI ↗
Molecular formulaC13H19NO2ChEBI ↗
Molar mass221.3 g/molChEBI ↗
Monoisotopic mass221.14158 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:76160ChEBI ↗

Cross-source molecular data

PubChem
Molar mass221.29 g/molPubChem ↗
Exact mass221.141578849 DaPubChem ↗
Computed XLogP2.8PubChem ↗
Topological polar surface area (Ų)49.3PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors2PubChem ↗
Rotatable bonds4PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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ibuproxam
N-hydroxy-2-(4-isobutylphenyl)propanamide
BYPIURIATSUHDW-UHFFFAOYSA-N
CC(C)Cc1ccc(C(C)C(=O)NO)cc1
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)

Names & synonyms

ibuproxamumN-hydroxy-2-(4-isobutylphenyl)propanamideN-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
hydroxamic acidChEBI parent class · 24650 ↗
organic molecular entity

Roles recorded in ChEBI

non-steroidal anti-inflammatory drugnon-narcotic analgesiciron chelator

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00451875 mol

Uses 221.3 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 13 atoms
70.56%
O
Oxygen · 2 atoms
14.46%
H
Hydrogen · 19 atoms
8.65%
N
Nitrogen · 1 atom
6.33%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Comparative study of ibuproxam complexation with amorphous beta-cyclodextrin derivatives in solution and in the solid state. ↗European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V · 2002 Sep · PMID 12191690
Photocontact dermatitis from ketoprofen with cross-reactivity to ibuproxam. ↗Contact dermatitis · 1992 Jul · PMID 1424592
GB2475359 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US5840714 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
WO9507076 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:76160

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 68704 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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