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Hydroxyisovaleroyl Carnitine-[d3]

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General Information
Catalog: BLP-009001
CAS: 1058636-00-2
Molecular Formula: C12H20D3ClNO9
Molecular Weight: 364.79

Chemical Structure

Description	Isotope labelled (2R)-3-Hydroxyisovaleroyl Carnitine is used as a diagnostic tool to identify the presence of orofacial clefts. Also used in the screening and diagnostics of inborn errors of metabolism.
Synonyms	Hydroxyisovaleroyl N-(methyl-d3)-carnitine; (2R)-3-Carboxy-2-(3-hydroxy-3-methyl-1-oxobutoxy)-N,N-dimethyl-N-(methyl-d3)-1-Propanaminium Inner Salt
IUPAC Name	(3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-(3-hydroxy-3-methylbutanoyl)oxybutanoate
Related CAS	99159-87-2 (unlabelled)
Canonical SMILES	CC(C)(CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)O
InChI	InChI=1S/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3/t9-/m1/s1/i3D3
InChI Key	IGLHHSKNBDXCEY-MCHJGEEVSA-N
Melting Point	>65°C (dec.)
Purity	98% by CP; 98% atom D
Solubility	Soluble in Methanol, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C, Under inert atmosphere