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Metaxalone-[d6]

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Metaxalone-[d6]

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General Information
Catalog: BLP-012439
CAS: 1189944-95-3
Molecular Formula: C12H9D6NO3
Molecular Weight: 227.29

Chemical Structure

Description	Metaxalone-[d6] is the labelled analogue of Metaxalone. Metaxalone is used as a muscle relaxant.
Synonyms	Metaxalone D6; 5-[(3,5-Dimethylphenoxy)methyl]oxazolidin-2-one-d6; AHR-438-d6; Skelaxin-d6
IUPAC Name	5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
Related CAS	1665-48-1 (unlabelled)
Canonical SMILES	CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C
InChI	InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)/i1D3,2D3
InChI Key	IMWZZHHPURKASS-WFGJKAKNSA-N
Boiling Point	453.6±14.0 °C at 760 mmHg
Melting Point	117-120°C
Purity	95% by HPLC; 95% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C