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Carbuterol-[d9]

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General Information
Catalog: BLP-011830
CAS: 1346747-24-7
Molecular Formula: C13H12D9N3O3
Molecular Weight: 276.38

Chemical Structure

Description	Carbuterol-[d9] is the labelled analogue of Carbuterol, which is a β-adrenergic agonist related to isoproterenol with selectivity for airway smooth muscle receptors. It is used as a bronchodilator.
Synonyms	Carbuterol-d9; N-[5-[2-[(1,1-Dimethylethyl-d9)amino]-1-hydroxyethyl]-2-hydroxyphenyl]urea; Bronsecur-d9; Pirem-d9; SKF 40383-d9
IUPAC Name	[5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]urea
Related CAS	34866-46-1 (unlabelled hydrochloride) 34866-47-2 (unlabelled)
Canonical SMILES	CC(C)(C)NCC(C1=CC(=C(C=C1)O)NC(=O)N)O
InChI	InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)/i1D3,2D3,3D3
InChI Key	KEMXXQOFIRIICG-GQALSZNTSA-N
Melting Point	>180°C (dec.)
Purity	98%; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Very Slightly, Heated)
Appearance	White to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere