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Albuterol Dimer-[d18]

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General Information
Catalog: BLP-003244
CAS: 1794793-26-2
Molecular Formula: C26H22D18N2O5
Molecular Weight: 478.72

Chemical Structure

Description	Albuterol Dimer-[d18] is a labelled Albuterol Dimer, an impurity of salbutamol. Salbutamol is a short-acting, selective beta2-adrenergic receptor agonist used in the treatment of asthma and COPD. It is 29 times more selective for beta2 receptors than beta1 receptors giving it higher specificity for pulmonary beta receptors versus beta1-adrenergic receptors located in the heart.
Synonyms	5-[[5-[2-[(1,1-Dimethylethyl-d9)amino]-1-hydroxyethyl]-2-hydroxyphenyl]methyl]-α1-[[(1,1-dimethylethyl-d9)amino]methyl]-4-hydroxy-1,3-benzenedimethanol; Salbutamol Dimer-d18
IUPAC Name	4-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-[[5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol
Related CAS	149222-15-1 (unlabelled)
Canonical SMILES	CC(C)(C)NCC(C1=CC(=C(C=C1)O)CC2=C(C(=CC(=C2)C(CNC(C)(C)C)O)CO)O)O
InChI	InChI=1S/C26H40N2O5/c1-25(2,3)27-13-22(31)16-7-8-21(30)17(9-16)10-19-11-18(12-20(15-29)24(19)33)23(32)14-28-26(4,5)6/h7-9,11-12,22-23,27-33H,10,13-15H2,1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3
InChI Key	YGTPUUFMIIQKAR-NBDUPMGQSA-N