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3-(4-Chlorophenyl)glutaric Acid-[d4]

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General Information
Catalog: BLP-002644
CAS: 1189874-68-7
Molecular Formula: C11H7D4ClO4
Molecular Weight: 246.68

Chemical Structure

Description	3-(4-Chlorophenyl)glutaric Acid-[d4] is the labelled analogue of 3-(4-Chlorophenyl)glutaric Acid (Baclofen Impurity 1), which is an impurity of Baclofen. Baclofen, an agonist of GABAB receptor, could be effective as a skeletal muscle relaxant and has been also found to have antispastic effect.
Synonyms	3-(4-Chlorophenyl)glutaric Acid D4; 3-(4-Chlorophenyl-d4)pentanedioic Acid; β-(p-Chlorophenyl-d4)glutaric Acid; 3-(p-Chlorophenyl-d4)glutaric Acid; 3-(4-Chlorophenyl)glutaric Acid-d4
IUPAC Name	3-(4-chloro-2,3,5,6-tetradeuteriophenyl)pentanedioic acid
Related CAS	35271-74-0 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)Cl
InChI	InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)/i1D,2D,3D,4D
InChI Key	URXVLIVRJJNJII-RHQRLBAQSA-N
Melting Point	159-161 °C
Solubility	Soluble in DMSO, Methanol
Appearance	Light-Yellow Solid
Storage	2-8 °C