Basic information
- CAS
53648-05-8- Standard SMILES
CC(C)Cc1ccc(C(C)C(=O)NO)cc1- InChIKey
BYPIURIATSUHDW-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Overview
Ibuproxam is 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. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an iron chelator. It is functionally related to an ibuprofen.
Names & identifiers
- Preferred name
- Ibuproxam
- IUPAC
- N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide
- English name
- ibuproxam
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.29546
Names & synonyms
Ibuproxam53648-05-8IbudrosIbuproxamumN-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamidep-Isobutylhydratropohydroxamic acidNSC-305528O3LD16O96ZCHEBI:76160DTXSID30866353Benzeneacetamide, N-hydroxy-alpha-methyl-4-(2-methylpropyl)-N-hydroxy-2-(4-(2-methylpropyl)phenyl)propanamide
Show more names
G-277Nsc3055282-(4-Isobutylphenyl)propionohydroxamic acidN-Hydroxy-α-methyl-4-isobutylbenzeneacetamideBenzeneacetamide, N-hydroxy-α-methyl-4-(2-methylpropyl)-N-Hydroxy-alpha-methyl-4-(2-methylpropyl)-benzeneacetamide
NialenRefChem:147580DTXCID40814643M01AE132-(4-isobutylphenyl)propiohydroxamic acid258-683-8rac IbuproxamIbuproxam [INN]
Database identifiers
- CAS
53648-05-8- PubChem CID
- 68704
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
LogP1.77
Melting Point119-121
Physicochemical properties
- Melting point
- 119 · 119-121℃
- Boiling point
- 362.36 °C · 362.36°C (rough estimate)
- Density
- 1.058 · 1.058
- refractive index
- 1.5175 · 1.5175 (estimate)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.4 · 9.40±0.40(Predicted)
- color
- White to Off-White
- Water Solubility
- 0.2 g/L · 0.2g/L(temperature not stated)
- FDA UNII
- 3 LD16O96Z · O3LD16O96Z
- ATC code
- 1 AE13 · M01AE13
- Toxicity
- 50 in · LD50 in mice, rats (g/kg): >2, >3 orally (Orzalesi, Selleri, 1978)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice, rats (g/kg): >2, >3 orally (Orzalesi, Selleri, 1978)
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
Usesrac Ibuproxam is a poorly water-soluble anti-inflammatory drug.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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