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N-Benzyl Salbutamon-[d9] hydrochloride

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General Information
Catalog: BLP-013663
CAS: 1330183-34-0
Molecular Formula: C20H17D9ClNO3
Molecular Weight: 372.93

Chemical Structure

Description	N-Benzyl Salbutamon-[d9] hydrochloride is the labelled analogue of N-Benzyl Salbutamon hydrochloride, which is an impurity of Salbutamol.
Synonyms	N-Benzyl Salbutamon-d9 hydrochloride; 2-[(1,1-Dimethylethyl-d9)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone Hydrochloride; 2-[Benzyl-tert-(butyl-d9)amino]-4'-hydroxy-3'-(hydroxymethyl)acetophenone Hydrochloride; Benzylsalbutamon-d9 Hydrochloride
IUPAC Name	2-[benzyl-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;hydrochloride
Related CAS	24085-08-3 (unlabelled) 1330823-02-3 (free base)
Canonical SMILES	CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)O)CO.Cl
InChI	InChI=1S/C20H25NO3.ClH/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22;/h4-11,22-23H,12-14H2,1-3H3;1H/i1D3,2D3,3D3;
InChI Key	QXNITHCPVLQQEN-KYRNGWDOSA-N
Purity	≥98%
Solubility	Soluble in DMSO (Slightly)
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere