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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.

4-Anilino-4-oxobutanoic Acid-[d5]

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General Information
Catalog: BLP-010525
CAS: 840529-98-8
Molecular Formula: C10H6D5NO3
Molecular Weight: 198.23
Chemical Structure
4-Anilino-4-oxobutanoic Acid-[d5]
Description 4-Anilino-4-oxobutanoic Acid-[d5] is the labelled analogue of 4-Anilino-4-oxobutanoic Acid, which is the metabolite (MII) of Suberoylanilide Hydroxamic Acid.
Synonyms 4-Anilino-4-oxobutanoic Acid D5; N-Phenyl-d5-succinamic Acid; Butanedioic Acid Anilide-d5; 4-Oxo-4-(phenyl-d5-amino)-butanoic Acid; 4-Anilino-d5-4-oxobutanoic Acid
IUPAC Name 4-oxo-4-(2,3,4,5,6-pentadeuterioanilino)butanoic acid
Related CAS 102-14-7 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])NC(=O)CCC(=O)O)[2H])[2H]
Canonical SMILES C1=CC=C(C=C1)NC(=O)CCC(=O)O
InChI InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
InChI Key KTFGFGGLCMGYTP-RALIUCGRSA-N
Boiling Point 462.29°C at 760 mmHg
Melting Point 146-149°C
Purity 98%; ≥99% atom D
Density 1.32g/cm3
Solubility Very slightly soluble in DMSO; Slightly soluble in Methanol
Appearance Off-white Solid
Storage Store at 2-8°C under inert atmosphere
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