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Ibuprofen Carboxylic Acid-[d3] (Mixture of Diastereomers)

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General Information
Catalog: BLP-005873
CAS: 1216505-29-1
Molecular Formula: C13H13D3O4
Molecular Weight: 239.28

Chemical Structure

Description	Ibuprofen Carboxylic Acid-[d3] (Mixture of Diastereomers) is the labelled derivative of Ibuprofen Carboxylic Acid, the major labelled metabolite of Ibuprofen which may reduce the risk of cataract by protecting lenticular enzymes.
Synonyms	4-(1-Carboxyethyl)-α-methylbenzenepropanoic Acid-d3; 2,4'-(2-Carboxypropyl)phenylpropionic Acid-d3; 2-[4-(2-Carboxypropyl)phenyl]propionic Acid-d3; Carboxyibuprofen-d3
IUPAC Name	3-[4-(1-carboxy-2,2,2-trideuterioethyl)phenyl]-2-methylpropanoic acid
Related CAS	15935-54-3 (unlabelled)
Canonical SMILES	CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O
InChI	InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/i2D3
InChI Key	DIVLBIVDYADZPL-BMSJAHLVSA-N
Melting Point	116-119°C
Purity	98% by CP
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Pale Yellow Solid
Storage	Store at -20°C