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2-Keto-3-(methyl-[d3])-butyric acid-1,2,3,4-[13C4],3-[d] sodium salt

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General Information
Catalog: BLP-005677
CAS: 1185115-88-1
Molecular Formula: [13C]4CH3D4NaO3
Molecular Weight: 146.09

Chemical Structure

Description	2-Keto-3-(methyl-[d3])-butyric acid-1,2,3,4-[13C4], 3-[d] sodium salt is intended for use as an internal standard for α-Keto Isovaleric Acid Sodium Salt. α-Keto Isovaleric Acid Sodium Salt can be used in studies involving the selective isotopic unlabelling of proteins providing important residue-type information.
Synonyms	α-Keto-3-(methyl-d3)-butyric acid-1,2,3,4-13C4,3-d sodium; α-Ketoisovaleric acid-13C4,d3 sodium salt
IUPAC Name	sodium;3,4,4,4-tetradeuterio-3-(1-13C)methyl-2-oxo(1,2,3-13C3)butanoate
Related CAS	3715-29-5 (unlabelled)
Canonical SMILES	CC(C)C(=O)C(=O)[O-].[Na+]
InChI	InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1D3,2+1,3+1D,4+1,5+1;
InChI Key	WIQBZDCJCRFGKA-XCPSOYJTSA-M
Melting Point	227-230°C
Purity	97% by CP; 99% atom 13C
Appearance	Solid