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Metoprolol Acid-[d5]

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General Information
Catalog: BLP-004749
CAS: 1215404-47-9
Molecular Formula: C14H16D5NO4
Molecular Weight: 272.35

Chemical Structure

Description	Metoprolol Acid-[d5] is the labelled analogue of Metoprolol Acid (Atenolol Impurity G). Metoprolol Acid is the acidic inactive metabolite of Metoprolol and is an impurity of Atenolol, a cardioselective β-adrenergic blocker.
Synonyms	Metoprolol Acid D5; 4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy-d5]benzeneacetic Acid; 4-(2-Hydroxy-3-isopropylaminopropoxy-d5)phenylacetic Acid; Atenolol Acid-d5
IUPAC Name	2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid
Related CAS	56392-14-4 (unlabelled)
Canonical SMILES	CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O
InChI	InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)/i8D2,9D2,12D
InChI Key	PUQIRTNPJRFRCZ-FPWSDNDASA-N
Melting Point	201-204°C
Purity	96%; ≥98% atom D
Solubility	Soluble in DMSO, Water; Sparingly soluble in Methanol
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere