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Isotope Labeled Active Pharmaceutical Ingredients (APIs)
Baclofen-[d4] (Major)

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Baclofen-[d4] (Major)

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General Information
Catalog: BLP-003385
CAS: 70155-52-1
Molecular Formula: C10H8D4ClNO2
Molecular Weight: 217.69

Chemical Structure

Description	Baclofen-[d4] (Major) is a labelled compound 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	β-(Aminomethyl-d2)-4-chlorobenzenepropanoic-α,α-d2 Acid
IUPAC Name	4-amino-3-(4-chlorophenyl)-2,2,4,4-tetradeuteriobutanoic acid
Related CAS	1134-47-0 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C(CC(=O)O)CN)Cl
InChI	InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/i5D2,6D2
InChI Key	KPYSYYIEGFHWSV-NZLXMSDQSA-N
Melting Point	184-187°C
Purity	> 98%
Appearance	Off-white to Pale Beige Solid
Storage	-20°C