rac Ibuprofen-d3

• CAT Number: R005080
• CAS Number: 121662-14-4
• Molecular Formula: C13H18O2
• Molecular Weight: 209.303
• Purity: ≥95%
• Synonyms: 2-(4-Isobutylphenyl)propionic Acid-d3
• Target: COX
• Storage: -20°C
• IUPAC Name: 3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid
• 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)/i3D3
• InChIKey: HEFNNWSXXWATRW-HPRDVNIFSA-N
• SMILES: [2H]C([2H])([2H])C(C1=CC=C(C=C1)CC(C)C)C(=O)O

rac Ibuprofen-d3 is a deuterated form of racemic ibuprofen, a widely used nonsteroidal anti-inflammatory drug (NSAID). In this compound, three hydrogen atoms are replaced with deuterium. It serves as an internal standard in mass spectrometry and NMR spectroscopy, enhancing the precision of quantification and structural analysis. In pharmaceutical chemistry, it is used for studying drug metabolism, pharmacokinetics, and drug interactions. In organic chemistry, it aids in reaction mechanism studies and isotope dilution assays. The deuterium labeling of ibuprofen-d3 ensures accurate and reliable results in various analytical applications.