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Acebutolol-[d5]

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General Information
Catalog: BLP-013703
CAS: 1189500-68-2
Molecular Formula: C18H23D5N2O4
Molecular Weight: 341.46

Chemical Structure

Description	Acebutolol-[d5] is the labelled analogue of Acebutolol, which is a β-adrenergic receptor antagonist used in the treatment of hypertension, angina pectoris and cardiac arrhythmias.
Synonyms	Acebutolol-d5; N-[3-Acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino](propoxy-d5)]phenyl]butanamide; Acetobutolol-d5; Neptal-d5; Prent-d5; Sectral-d5
IUPAC Name	N-[3-acetyl-4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Related CAS	37517-30-9 (unlabelled)
Canonical SMILES	CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C
InChI	InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)/i10D2,11D2,15D
InChI Key	GOEMGAFJFRBGGG-FPQCMJPGSA-N
Melting Point	58-60°C
Purity	≥97%; ≥98% atom D
Solubility	Soluble in Chloroform (Slightly, Heated), Methanol (Slightly)
Appearance	Pale Yellow Solid
Storage	Store at -20°C