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Methocarbamol-[d5]

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Methocarbamol-[d5]

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General Information
Catalog: BLP-012444
CAS: 1189699-70-4
Molecular Formula: C11H10D5NO5
Molecular Weight: 246.27

Chemical Structure

Description	Methocarbamol-[d5] is the labelled analogue of Methocarbamol. Methocarbamol is a medication used to treat skeletal muscle spasms.
Synonyms	Methocarbamol-D5; 3-(2-Methoxyphenoxy)-1,2-propanediol-d5 1-Carbamate; 3-(o-Methoxyphenoxy)-2-hydroxypropyl-d5 Carbamate
IUPAC Name	[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate
Related CAS	532-03-6 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)N)O)OC1=CC=CC=C1OC
Canonical SMILES	COC1=CC=CC=C1OCC(COC(=O)N)O
InChI	InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/i6D2,7D2,8D
InChI Key	GNXFOGHNGIVQEH-RORPNYJOSA-N
Boiling Point	472.5±40.0 °C at 760 mmHg
Melting Point	89-92°C
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform, DMSO, Methanol
Appearance	White to Off-White Solid
Storage	Store at -20°C