IAZDPXIOMUYVGZ-UHFFFAOYSA-N

URI: https://gptkb.org/entity/IAZDPXIOMUYVGZ-UHFFFAOYSA-N
GPTKB entity
Statements (52)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
gptkbp:actsOn COX inhibitor
gptkbp:ATCCode M01AE01
gptkbp:boilingPoint 157 °C (decomposes)
gptkbp:CASNumber 15687-27-1
gptkbp:chemicalClass propionic acid derivatives
gptkbp:chirality racemic mixture
gptkbp:commonName gptkb:Ibuprofen
gptkbp:contraindication peptic ulcer
hypersensitivity to NSAIDs
severe heart failure
gptkbp:discoveredBy gptkb:John_Nicholson
gptkb:Stewart_Adams
gptkbp:discoveredIn 1961
gptkbp:eliminationHalfLife 1.8–2 hours
gptkbp:excretion gptkb:kidney
gptkbp:FDAApproved 1974
gptkbp:has_bioavailability 80–100%
gptkbp:has_brand_name gptkb:Nurofen
gptkb:Motrin
gptkb:Advil
gptkb:Brufen
gptkbp:has_logP 3.97
gptkbp:hasInChIKey gptkb:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
gptkbp:hasMolecularFormula C13H18O2
gptkbp:hasSMILES CC(C)Cc1ccc(cc1)CC(C)C(=O)O
https://www.w3.org/2000/01/rdf-schema#label IAZDPXIOMUYVGZ-UHFFFAOYSA-N
gptkbp:IUPACName gptkb:2-(4-isobutylphenyl)propanoic_acid
gptkbp:legalStatus OTC (over-the-counter)
Rx-only (in some countries)
gptkbp:meltingPoint 75-78 °C
gptkbp:metabolism liver
gptkbp:molecularWeight 206.28 g/mol
gptkbp:pKa 4.91
gptkbp:pregnancyCategory C (US)
gptkbp:PubChem_CID gptkb:DB01050
gptkb:CHEMBL521
3672
gptkbp:routeOfAdministration oral
topical
intravenous
gptkbp:sideEffect nausea
dizziness
rash
gastrointestinal irritation
gptkbp:solubility 21 mg/L at 25 °C
gptkbp:UNII WK2XYI10QM
gptkbp:usedFor analgesic
antipyretic
nonsteroidal anti-inflammatory drug
gptkbp:bfsParent gptkb:dimethyl_sulfoxide
gptkbp:bfsLayer 6