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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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