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rac N-Desisopropyl-N-ethyl Acebutolol-[d5]

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General Information
Catalog: BLP-004031
CAS: 1329512-38-0
Molecular Formula: C17H21D5N2O4
Molecular Weight: 327.43

Chemical Structure

Description	Rac N-Desisopropyl-N-ethyl Acebutolol-[d5] is a labelled metabolite of Acebutolol.
Synonyms	N-[3-Acetyl-4-[3-(ethylamino)-2-hydroxypropoxy-d5]phenyl]butanamide; N-[3-Acetyl-4-[(2RS)-3-(ethylamino)-2-hydroxypropoxy-d5]phenyl]butanamide
IUPAC Name	N-[3-acetyl-4-[1,1,2,3,3-pentadeuterio-3-(ethylamino)-2-hydroxypropoxy]phenyl]butanamide
Related CAS	441019-91-6 (unlabelled)
Canonical SMILES	CCCC(=O)NC1=CC(=C(C=C1)OCC(CNCC)O)C(=O)C
InChI	InChI=1S/C17H26N2O4/c1-4-6-17(22)19-13-7-8-16(15(9-13)12(3)20)23-11-14(21)10-18-5-2/h7-9,14,18,21H,4-6,10-11H2,1-3H3,(H,19,22)/i10D2,11D2,14D
InChI Key	BKGQPZMMLAGZCQ-FIWUMSIFSA-N
Purity	>98%