Basic Information
ID DDInter900
Drug Type small molecule
Molecular Formula C13H18O2
Molecular Weight 206.281
CAS Number 15687-27-1
Description Ibuprofen is a non-steroidal anti-inflammatory drug (NSAID) derived from propionic acid and it is considered the first of the propionics.[A39074] The formula of ibuprofen is 2-(4-isobutylphenyl) propionic acid and its initial development was in 1960 while researching for a safer alternative for aspirin.[A39075] Ibuprofen was finally patented in 1961 and this drug was first launched against rheumatoid arthritis in the UK in 1969 and USA in 1974. It was the first available over-the-counter NSAID.[A39076] On the available products, ibuprofen is administered as a racemic mixture. Once administered, the R-enantiomer undergoes extensive interconversion to the S-enantiomer _in vivo_ by the activity of the alpha-methylacyl-CoA racemase. In particular, it is generally proposed that the S-enantiomer is capable of eliciting stronger pharmacological activity than the R-enantiomer.[A39194]
ATC Classification G02CC01 C01EB16 M01AE01 M02AA13 R02AX02 N02AJ08 N02AJ19 M01AE51
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI HEFNNWSXXWATRW-UHFFFAOYSA-N
Canonical SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Useful Links DrugBank ChEBI PubChem Substance KEGG Compound KEGG Drug ChemSpider BindingDB PharmGKB Therapeutic Targets Database Guide to Pharmacology Wikipedia ChEMBL
Interactions with Ibuprofen
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