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(2RS,3RS)-1-Amino-3-(2-ethoxy-[d5]-phenoxy)-2-hydroxy-3-phenylpropane Methanesulfonate Salt

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General Information
Catalog: BLP-007805
CAS: 1216592-04-9
Molecular Formula: C18H20D5NO5S
Molecular Weight: 388.49

Chemical Structure

Description	(2RS,3RS)-1-Amino-3-(2-ethoxy-[d5]-phenoxy)-2-hydroxy-3-phenylpropane Methanesulfonate Salt is a labelled intermediate in the synthesis of Reboxetine.
Synonyms	α-(Aminomethyl)-β-(2-ethoxyphenoxy)benzeneethanol Methanesulfonate-d5
IUPAC Name	3-amino-1-[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]-1-phenylpropan-2-ol;methanesulfonic acid
Related CAS	93853-04-4 (unlabelled)
Canonical SMILES	CCOC1=CC=CC=C1OC(C2=CC=CC=C2)C(CN)O.CS(=O)(=O)O
InChI	InChI=1S/C17H21NO3.CH4O3S/c1-2-20-15-10-6-7-11-16(15)21-17(14(19)12-18)13-8-4-3-5-9-13;1-5(2,3)4/h3-11,14,17,19H,2,12,18H2,1H3;1H3,(H,2,3,4)/i1D3,2D2;
InChI Key	YLWMFGZOMMEAOU-LUIAAVAXSA-N
Melting Point	107-110°C
Solubility	Soluble in Acetone, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C