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Bambuterol-[d9] hydrochloride

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General Information
Catalog: BLP-011709
CAS: 1794810-59-5
Molecular Formula: C18H21D9ClN3O5
Molecular Weight: 412.96

Chemical Structure

Description	Bambuterol-[d9] hydrochloride is the labelled salt of Bambuterol, which is a long-acting beta-adrenergic receptor agonist (LABA) used in the treatment of asthma.
Synonyms	Bambuterol-D9 hydrochloride; Dimethyl-carbamic acid 3-(2-tert-butylamino-D9-1-hydroxyethyl)-5-dimethylcarbamoyloxy-phenyl ester hydrochloride; N,N-Dimethylcarbamic Acid 3-[[(Dimethylamino)carbonyl]oxy]-5-[2-[(1,1-dimethylethyl-d9)amino]-1-hydroxyethyl]phenyl Ester Hydrochloride; Bambec-d9; KWD 2183-d9
IUPAC Name	[3-(dimethylcarbamoyloxy)-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]phenyl] N,N-dimethylcarbamate;hydrochloride
Related CAS	81732-46-9 (unlabelled) 81732-65-2 (unlabelled free base)
Canonical SMILES	CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl
InChI	InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H/i1D3,2D3,3D3;
InChI Key	LBARATORRVNNQM-KYRNGWDOSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly, Heated), Methanol (Slightly, Sonicated)
Appearance	Off-white Solid
Storage	Store at -20°C