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1-(4-Aza-8-hydroxy-6-oxo)oct-2-en-1-oylimidazole-[d3] (mixture E/Z)

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General Information
Catalog: BLP-006430
CAS: 1795138-51-0
Molecular Formula: C10H10D3N3O3
Molecular Weight: 226.25

Chemical Structure

Description	1-(4-Aza-8-hydroxy-6-oxo)oct-2-en-1-oylimidazole-[d3] (mixture E/Z) is the labelled analogue of 1-(4-Aza-8-hydroxy-6-oxo)oct-2-en-1-oylimidazole, which is an impurity of Clavulanic acid.
Synonyms	1-(4-Aza-8-hydroxy-6-oxo)oct-2-en-1-oylimidazole-d3 (mixture E/Z); 4-Hydroxy-1-[[3-(1H-imidazol-1-yl-d3)-3-oxo-1-propen-1-yl]amino]-2-butanone; 1-[3-[(4-Hydroxy-2-oxobutyl)amino]-1-oxo-2-propenyl]-1H-imidazole-d3
IUPAC Name	4-hydroxy-1-[[(E)-3-oxo-3-(2,4,5-trideuterioimidazol-1-yl)prop-1-enyl]amino]butan-2-one
Related CAS	89186-34-5 (unlabelled)
Canonical SMILES	C1=CN(C=N1)C(=O)C=CNCC(=O)CCO
InChI	InChI=1S/C10H13N3O3/c14-6-2-9(15)7-11-3-1-10(16)13-5-4-12-8-13/h1,3-5,8,11,14H,2,6-7H2/b3-1+/i4D,5D,8D
InChI Key	XTQFPQZZZXNBRC-VNOQJKHCSA-N
Melting Point	105-107°C (dec.)
Purity	≥97%; ≥99% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere