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3-(4-Chlorophenyl)-4-Hydroxybutyric Acid-[d4] Sodium Salt

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General Information
Catalog: BLP-006288
CAS: 1346600-25-6
Molecular Formula: C10H6D4ClO3.Na
Molecular Weight: 240.65

Chemical Structure

Description	3-(4-Chlorophenyl)-4-Hydroxybutyric Acid-[d4] Sodium Salt is the labelled salt of 3-(4-Chlorophenyl)-4-Hydroxybutyric Acid, which is the metabolite of Baclofen.
Synonyms	3-(4-Chlorophenyl-d4)-4-hydroxybutyric Acid Sodium Salt; 4-Chloro-β-(hydroxymethyl)-benzenepropanoic Acid-d4 Sodium; β-(p-Chlorophenyl-d4)-γ-hydroxybutyric Acid Sodium; Baclofen Impurity 2-d4 Sodium salt
IUPAC Name	sodium;3-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxybutanoate
Related CAS	1346603-21-1 (unlabelled) 52977-95-4 (unlabelled free acid)
Canonical SMILES	C1=CC(=CC=C1C(CC(=O)[O-])CO)Cl.[Na+]
InChI	InChI=1S/C10H11ClO3.Na/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8,12H,5-6H2,(H,13,14);/q;+1/p-1/i1D,2D,3D,4D;
InChI Key	YNPCWJFLKBMRIL-FOMJDCLLSA-M
Purity	≥98%
Solubility	Slightly soluble in Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C