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Mabuterol-[d9] hydrochloride

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General Information
Catalog: BLP-012837
CAS: 1353867-83-0
Molecular Formula: C13H9D9ClF3N2O.HCl
Molecular Weight: 356.26

Chemical Structure

Description	Mabuterol-[d9] hydrochloride is the labelled analogue of Mabuterol hydrochloride, which is an acidic salt of Mabuterol. Mabuterol is a β2-adrenergic agonist, used as a bronchodilator/antiasthmatic.
Synonyms	1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert-butyl-D9-amino-ethanol hydrochloride; Mabuterol-D9 hydrochloride; 1-(4-Amino-3-chloro-5-(trifluoromethyl)phenyl)-2-((2-(methyl-d3)propan-2-yl-1,1,1,3,3,3-d6)amino)ethan-1-ol Hydrochloride; Mabuterol-(tert-butyl-d9) hydrochloride
IUPAC Name	1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol;hydrochloride
Related CAS	54240-36-7 (unlabelled) 1246819-58-8 (free base)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl
Canonical SMILES	CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl
InChI	InChI=1S/C13H18ClF3N2O.ClH/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7;/h4-5,10,19-20H,6,18H2,1-3H3;1H/i1D3,2D3,3D3;
InChI Key	MMCDXJOMPMIKGP-KYRNGWDOSA-N
Purity	95% by HPLC; 98% atom D