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Methocarbamol-O-sulfate-[d5] Sodium Salt

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General Information
Catalog: BLP-004702
CAS: 1330055-80-5
Molecular Formula: C11H9D5NNaO8S
Molecular Weight: 348.32

Chemical Structure

Description	Methocarbamol-O-sulfate-[d5] Sodium Salt is the labelled analogue of Methocarbamol-O-sulfate Sodium Salt, which is a metabolite of Methocarbamol.
Synonyms	Methocarbamol-O-sulfate-d5 Sodium Salt; 3-(2-Methoxyphenoxy)-1,2-propanediol-d5 1-Carbamate 2-(Hydrogen Sulfate) Sodium Salt
IUPAC Name	sodium;[1-carbamoyloxy-1,1,2,3,3-pentadeuterio-3-(2-methoxyphenoxy)propan-2-yl] sulfate
Related CAS	1329610-40-3 (unlabelled) 1330274-71-9 (free acid)
Canonical SMILES	COC1=CC=CC=C1OCC(COC(=O)N)OS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C11H15NO8S.Na/c1-17-9-4-2-3-5-10(9)18-6-8(7-19-11(12)13)20-21(14,15)16;/h2-5,8H,6-7H2,1H3,(H2,12,13)(H,14,15,16);/q;+1/p-1/i6D2,7D2,8D;
InChI Key	FYHFYAQEVOZTLQ-ADIOSLTNSA-M
Purity	>95%