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1'-Hydroxy Bufuralol-[d9] (Mixture of Diastereomers)

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General Information
Catalog: BLP-009631
CAS: 1185069-74-2
Molecular Formula: C16H14NO3D9
Molecular Weight: 286.54

Chemical Structure

Description	1'-Hydroxy Bufuralol-[d9] is a labelled 1'-Hydroxy Bufuralol. Bufuralol is a beta-adrenoceptor antagonist.
Synonyms	α2-[[(1,1-(Dimethylethyl-d9))amino]methyl]-α7-methyl-2,7-benzofurandimethanol; 1'-Hydroxybufuralol-d9
IUPAC Name	2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol
Related CAS	57704-16-2 (unlabelled)
Canonical SMILES	CC(C1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O)O
InChI	InChI=1S/C16H23NO3/c1-10(18)12-7-5-6-11-8-14(20-15(11)12)13(19)9-17-16(2,3)4/h5-8,10,13,17-19H,9H2,1-4H3/i2D3,3D3,4D3
InChI Key	GTYMTYBCXVOBBB-WVZRYRIDSA-N
Purity	> 95%
Appearance	Off-White to Pale Yellow Low Melting Solid