Description:
Ibuprofen is an inhibitor of COX-1 and COX-2 with IC50 of 13 μM and 370 μM, respectively. Ibuprofen has been used to treat mild-moderate pain, fever, and inflammation.
- Molecular Weight: 206.28
- Molecular Formula: C13H18O2
Canonical SMILES:
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
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)
InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N- Boiling Point: 319.6±11.0 °C at 760 mmHg
- Melting Point: 73-76°C
- Solubility: DMSO 41 mg/mL (198.75 mM); Ethanol 41 mg/mL (198.75 mM)
- Appearance: White Solid
- Storage: 3 years -20°C powder;6 months-80°C in solvent
Synonyms:
α-methyl-4-(2-methylpropyl)-benzeneacetic acid
More details are to be found on supplier website