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4'-Hydroxy Atomoxetine-[d3]

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General Information
Catalog: BLP-002827
CAS: 1217686-14-0
Molecular Formula: C17H18D3NO2
Molecular Weight: 274.37

Chemical Structure

Description	4'-Hydroxy Atomoxetine-[d3] is the labelled analogue of 4'-Hydroxyatomoxetine. 4'-Hydroxyatomoxetine is an impurity of Atomoxetine, a selective norepinephrine (NE) reuptake inhibitor for the treatment of attention-deficit hyperactivity disorder (ADHD).
Synonyms	4'-Hydroxy Atomoxetine D3; 4-Hydroxyatomoxetine-d3; 3-Methyl-4-(3-methylamino-d3-1-phenyl-propoxy)-phenol
IUPAC Name	3-methyl-4-[(1R)-1-phenyl-3-(trideuteriomethylamino)propoxy]phenol
Related CAS	435293-66-6 (unlabelled)
Canonical SMILES	CC1=C(C=CC(=C1)O)OC(CCNC)C2=CC=CC=C2
InChI	InChI=1S/C17H21NO2/c1-13-12-15(19)8-9-16(13)20-17(10-11-18-2)14-6-4-3-5-7-14/h3-9,12,17-19H,10-11H2,1-2H3/t17-/m1/s1/i2D3
InChI Key	PPXQPRLGNSJNJM-NVNSKBCASA-N
Melting Point	121-123 °C
Purity	97%; > 99% atom D
Solubility	Slightly soluble in Chloroform, Methanol (Heated)
Appearance	Pale Beige to Light Beige Solid
Storage	-20 °C