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3-O-Methyl Colterol-[d9]

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General Information
Catalog: BLP-002783
CAS: 1346599-83-4
Molecular Formula: C13H12D9NO3
Molecular Weight: 248.37

Chemical Structure

Description	3-O-Methyl Colterol-[d9] is the labelled analogue of 3-O-Methyl Colterol. 3-O-Methyl Colterol is a metabolite of Bitolterol, a new bronchodilator.
Synonyms	3-O-Methyl Colterol D9; α-[[(1,1-Dimethylethyl-d9)amino]methyl]-4-hydroxy-3-methoxybenzenemethanol; N-(tert-Butyl-d9)metarterenol; (+/-)-[(tert-Butyl-d9)amino]methyl]-3-methoxy-4-hydroxybenzyl Alcohol
IUPAC Name	4-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-methoxyphenol
Related CAS	58868-93-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C=C1)O)OC)O
Canonical SMILES	CC(C)(C)NCC(C1=CC(=C(C=C1)O)OC)O
InChI	InChI=1S/C13H21NO3/c1-13(2,3)14-8-11(16)9-5-6-10(15)12(7-9)17-4/h5-7,11,14-16H,8H2,1-4H3/i1D3,2D3,3D3
InChI Key	WVGNWNYBARIPKQ-GQALSZNTSA-N
Melting Point	132-137 °C
Purity	98%; ≥ 99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	2-8 °C under inert atmosphere