1.0 2011-09-21 00:18:56 UTC 2015-10-09 22:31:18 UTC FDB022743 Ibuprofen Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) widely marketed under various trademarks including Act-3, Advil, Brufen, Motrin, Nuprin, and Nurofen. It is used for relief of symptoms of arthritis, primary dysmenorrhoea, and fever; Ibuprofen is an NSAID which is believed to work through inhibition of cyclooxygenase (COX), thus inhibiting prostaglandin synthesis. There are at least 2 variations of cyclooxygenase (COX-1 and COX-2), ibuprofen inhibits both COX-1 and COX-2. It appears that its analgesic, antipyretic, and anti-inflammatory activity are achieved principally through COX-2 inhibition; whereas COX-1 inhibition is responsible for its unwanted effects on platelet aggregation and the GI mucosa. As with other NSAIDs, ibuprofen inhibits platelet aggregation, but is not used therapeutically for this action since it is a minor and reversible effect. -- Wikipedia [HMDB] (+-)-2-(P-Isobutylphenyl)propionate (+-)-2-(P-Isobutylphenyl)propionic acid (+-)-a-Methyl-4-(2-methylpropyl)benzeneacetate (+-)-a-Methyl-4-(2-methylpropyl)benzeneacetic acid (+-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetate (+-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid (+-)-Ibuprofen (+-)-P-Isobutylhydratropate (+-)-P-Isobutylhydratropic acid (+-)-α-methyl-4-(2-methylpropyl)benzeneacetate (+-)-α-methyl-4-(2-methylpropyl)benzeneacetic acid (4-Isobutylphenyl)-a-methylacetate (4-Isobutylphenyl)-a-methylacetic acid (4-Isobutylphenyl)-alpha-methylacetate (4-Isobutylphenyl)-alpha-methylacetic acid (4-Isobutylphenyl)-α-methylacetate (4-Isobutylphenyl)-α-methylacetic acid (RS)-ibuprofen 2-(4-Isobutylphenyl)propanoate 2-(4-Isobutylphenyl)propanoic acid 4-Isobutylhydratropate 4-Isobutylhydratropic acid a-(4-Isobutylphenyl)propionate a-(4-Isobutylphenyl)propionic acid a-(P-Isobutylphenyl)propionate a-(P-Isobutylphenyl)propionic acid Adran Advil alpha-(4-Isobutylphenyl)propionate alpha-(4-Isobutylphenyl)propionic acid alpha-(P-Isobutylphenyl)propionate alpha-(P-Isobutylphenyl)propionic acid alpha-p-Isobutylphenylpropionate alpha-p-Isobutylphenylpropionic acid Amibufen Anco Anflagen Apsifen Bluton Brufen Brufort Buburone Butylenin Dolgin Dolgirid Dolgit Dolo-dolgit duralbuprofen Ebufac Epobron Femadon Haltran Ibu-attritin Ibumetin Ibuprocin Ibutid Inabrin Inoven Lamidon Lebrufen Liptan Medipren Motrin Mynosedin Nobfen Nobgen Nuprin Nurofen p-Isobutyl-2-phenylpropionate p-Isobutyl-2-phenylpropionic acid p-Isobutylhydratropate p-Isobutylhydratropic acid Pediaprofen Roidenin Rufen Seclodin Suspren Tabalon Trendar Urem α-(4-isobutylphenyl)propionate α-(4-isobutylphenyl)propionic acid α-(P-isobutylphenyl)propionate α-(P-isobutylphenyl)propionic acid C13H18O2 206.2808 206.13067982 2-[4-(2-methylpropyl)phenyl]propanoic acid ibuprofen, (+-)- 15687-27-1 CC(C)CC1=CC=C(C=C1)C(C)C(O)=O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Phenylpropanoic acids Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Aromatic homomonocyclic compounds Aromatic monoterpenoids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Phenylpropanes 2-phenylpropanoic-acid Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-cymene Phenylpropane monocarboxylic acid Solid logp 3.50 ALOGPS logs -3.48 ALOGPS solubility 6.84e-02 g/l ALOGPS logp 3.84 ChemAxon pka_strongest_acidic 4.85 ChemAxon iupac 2-[4-(2-methylpropyl)phenyl]propanoic acid ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CC(C)CC1=CC=C(C=C1)C(C)C(O)=O ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) ChemAxon inchikey HEFNNWSXXWATRW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 60.73 ChemAxon polarizability 23.76 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1472 Specdb::MsIr 1473 Specdb::MsIr 1474 Specdb::EiMs 1276 Specdb::NmrTwoD 1744 Specdb::CMs 793 Specdb::CMs 794 Specdb::CMs 795 Specdb::CMs 7795 Specdb::CMs 27721 Specdb::CMs 30195 Specdb::CMs 30295 Specdb::CMs 30877 Specdb::CMs 38186 Specdb::CMs 116384 Specdb::CMs 121384 Specdb::CMs 148408 Specdb::NmrOneD 1804 Specdb::NmrOneD 2257 Specdb::NmrOneD 2954 Specdb::MsMs 1855 Specdb::MsMs 1856 Specdb::MsMs 5619 Specdb::MsMs 255987 Specdb::MsMs 255988 Specdb::MsMs 255989 Specdb::MsMs 275928 Specdb::MsMs 275929 Specdb::MsMs 275930 Specdb::MsMs 374151 Specdb::MsMs 374488 Specdb::MsMs 450435 Specdb::MsMs 451838 Specdb::MsMs 2235731 Specdb::MsMs 2237629 Specdb::MsMs 2239826 Specdb::MsMs 2240736 Specdb::MsMs 2240970 Specdb::MsMs 2241875 Specdb::MsMs 2338111 Specdb::MsMs 2338112 Specdb::MsMs 2338113 Specdb::MsMs 2624633 Specdb::MsMs 2624634 Specdb::MsMs 2624635 HMDB01925 5855 #<Reference:0x000055ce31aa6018> #<Reference:0x000055ce31aa5e38> #<Reference:0x000055ce31aa5c80> #<Reference:0x000055ce31aa5ac8> #<Reference:0x000055ce31aa58c0> #<Reference:0x000055ce31aa56b8> #<Reference:0x000055ce31aa54d8> #<Reference:0x000055ce31aa5320> #<Reference:0x000055ce31aa5168> #<Reference:0x000055ce31aa4fb0> #<Reference:0x000055ce31aa4df8> #<Reference:0x000055ce31aa4c40> #<Reference:0x000055ce31aa4a88> #<Reference:0x000055ce31aa48d0> #<Reference:0x000055ce31aa46f0> #<Reference:0x000055ce31aa4510> #<Reference:0x000055ce31aa4358>