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Sodium Ethyl-[d5] Sulfate

General Information
Catalog: BLP-012585
CAS: 1329611-05-3
Molecular Formula: C2D5NaO4S
Molecular Weight: 153.14
Chemical Structure
Sodium Ethyl-[d5] Sulfate
Description An isotope labelled metabolite of ethanol in humans.
Synonyms Sodium Ethyl-D5 Sulfate
IUPAC Name sodium;1,1,2,2,2-pentadeuterioethyl sulfate
Related CAS 546-74-7 (unlabelled) 735250-89-2 (free acid)
Canonical SMILES CCOS(=O)(=O)[O-].[Na+]
InChI InChI=1S/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1/i1D3,2D2;
InChI Key RRLOOYQHUHGIRJ-LUIAAVAXSA-M
Melting Point >152°C (dec.)
Purity 98% by HPLC; 99% atom D
Solubility Soluble in Methanol, Water
Appearance Pale Brown to Brown Solid
Storage Store at -20°C, under inert atmosphere

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