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Pirbuterol-[d9] acetate

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General Information
Catalog: BLP-011701
CAS: 1431291-46-1
Molecular Formula: C12H11D9N2O3.C2H4O2
Molecular Weight: 309.41

Chemical Structure

Description	Pirbuterol-[d9] acetate is the labelled analogue of Pirbuterol acetate, which is a short-acting β2 adrenoreceptor agonist.
Synonyms	Pirbuterol-D9 acetate; 6-(2-tert-Butyl-D9-amino-1-hydroxyethyl)-2-hydroxymethylpyridin-3-ol acetate; α6-[[(1,1-Dimethylethyl)amino]methyl]-3-hydroxy-2,6-pyridinedimethanol-d9 Monoacetate (Salt); Maxair-d9; Spirolair-d9
IUPAC Name	acetic acid;6-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
Related CAS	65652-44-0 (unlabelled) 38677-81-5 (unlabelled free base)
Canonical SMILES	CC(=O)O.CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O
InChI	InChI=1S/C12H20N2O3.C2H4O2/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;1-2(3)4/h4-5,11,13,15-17H,6-7H2,1-3H3;1H3,(H,3,4)/i1D3,2D3,3D3;
InChI Key	QSXMZJGGEWYVCN-KYRNGWDOSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere