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Ibuprofen-[d3]

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General Information
Catalog: BLP-011733
CAS: 121662-14-4
Molecular Formula: C13H15D3O2
Molecular Weight: 209.30

Chemical Structure

Description	Ibuprofen-[d3] is the labelled analogue of Ibuprofen, which is a selective cyclooxygenase inhibitor.
Synonyms	Ibuprofen-D3; rac Ibuprofen-d3; 2-(4-Isobutylphenyl)propionic Acid-d3; Brufen-d3; Motrin-d3; Advil-d3; Nurofen-d3; Dolgit-d3; (+/-)-Ibuprofen D3
IUPAC Name	3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid
Related CAS	58560-75-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C1=CC=C(C=C1)CC(C)C)C(=O)O
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)/i3D3
InChI Key	HEFNNWSXXWATRW-HPRDVNIFSA-N
Melting Point	69-71°C
Purity	≥97%; ≥99% atom D
Solubility	Soluble in Acetonitrile (Slightly), Chloroform (Sparingly), Ethanol (Slightly, Sonicated)
Appearance	White to Pale Beige Solid
Storage	Store at -20°C