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(+/-)-Mandelic Acid-[2,3,4,5,6-d5]

General Information
Catalog: BLP-010146
CAS: 70838-71-0
Molecular Formula: C8H3D5O3
Molecular Weight: 157.18
Chemical Structure
(+/-)-Mandelic Acid-[2,3,4,5,6-d5]
Description (+/-)-Mandelic Acid-[2,3,4,5,6-d5] is the labelled analogue of DL-Mandelic acid, which is an impurity of Pregabalin. Pregabalin is a medication used to treat epilepsy, neuropathic pain, fibromyalgia, and generalized anxiety disorder.
Synonyms α-Hydroxy-benzene-d5-acetic Acid
IUPAC Name 2-hydroxy-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid
Related CAS 90-64-2 (unlabelled)
Canonical SMILES C1=CC=C(C=C1)C(C(=O)O)O
InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/i1D,2D,3D,4D,5D
InChI Key IWYDHOAUDWTVEP-RALIUCGRSA-N
Melting Point 117-119°C
Purity 98 atom % D
Solubility Soluble in DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance White to Off-white Solid
Storage Store at 2-8°C

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