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Bufuralol-[d9] Hydrochloride

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General Information
Catalog: BLP-011821
CAS: 1173023-51-2
Molecular Formula: C16H15D9ClNO2
Molecular Weight: 306.88

Chemical Structure

Description	Bufuralol-[d9] Hydrochloride is the labelled analogue of Bufuralol, which is a β-adrenoceptor blocker with partial peripheral vasodilating activity and is used for the treatment of hypertension.
Synonyms	Bufuralol D9 Hydrochloride; α-[[(1,1-Dimethylethyl)-amino]methyl]-7-ethyl-2-benzofuranmethanol-d9 Hydrochloride; Ro-3-4787-d9 Hydrochloride; Angium-d9; Bufuralol-(t-butyl-d9) hydrochloride
IUPAC Name	1-(7-ethyl-1-benzofuran-2-yl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol;hydrochloride
Related CAS	59652-29-8 (unlabelled) 1173148-05-4 (free base) 60398-91-6 (unlabelled) 54340-62-4 (unlabelled free base)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC2=C(O1)C(=CC=C2)CC)O.Cl
Canonical SMILES	CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O.Cl
InChI	InChI=1S/C16H23NO2.ClH/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4;/h6-9,13,17-18H,5,10H2,1-4H3;1H/i2D3,3D3,4D3;
InChI Key	KJBONRGCLLBWCJ-WWMMTMLWSA-N
Melting Point	132-135°C
Purity	≥95%; ≥99% atom D
Solubility	Soluble in Methanol (Slightly)
Appearance	Off-White to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere