Name: rac 3-Deacetyl-3-butanoyl Acebutolol-[d5] Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-006235

CAS: 1329836-09-0

Molecular Formula: C20H27D5N2O4.HCl

Molecular Weight: 405.97

Chemical Structure

Description	rac 3-Deacetyl-3-butanoyl Acebutolol-[d5] Hydrochloride is the labelled analogue of rac 3-Deacetyl-3-butanoyl Acebutolol Hydrochloride, which is an analogue of Acebutolol.
Synonyms	rac 3-Deacetyl-3-butanoyl Acebutolol-d5 Hydrochloride; (+/-)-N-[4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy-d5]-3-(1-oxobutyl)phenyl]butanamide Hydrochloride; N-[3-Butanoyl-4-[(2RS)-2-hydroxy-3-[(1-methylethyl)amino]propoxy-d5]phenyl]butanamide Hydrochloride; Acebutolol Impurity K-d5
IUPAC Name	N-[3-butanoyl-4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;hydrochloride
Related CAS	57898-71-2 (unlabelled)
Canonical SMILES	CCCC(=O)C1=C(C=CC(=C1)NC(=O)CCC)OCC(CNC(C)C)O.Cl
InChI	InChI=1S/C20H32N2O4.ClH/c1-5-7-18(24)17-11-15(22-20(25)8-6-2)9-10-19(17)26-13-16(23)12-21-14(3)4;/h9-11,14,16,21,23H,5-8,12-13H2,1-4H3,(H,22,25);1H/i12D2,13D2,16D;
InChI Key	NOQLJJJTTFSZOV-SWNQEQABSA-N
Purity	≥98%
Appearance	Solid
Storage	Store at 2-8°C