CAS 840529-98-8

4-oxo-4-(2,3,4,5,6-pentadeuterioanilino)butanoic acid

Description:

4-Oxo-4-(2,3,4,5,6-pentadeuterioanilino)butanoic acid is a chemical compound characterized by its unique structure, which includes a butanoic acid moiety and a substituted aniline group. The presence of the pentadeuterio substitution indicates that five hydrogen atoms in the aniline portion have been replaced with deuterium, a stable isotope of hydrogen, which can be useful in various applications, including tracing and labeling studies in biochemical research. The compound features a carbonyl group (oxo) that contributes to its reactivity and potential interactions in biological systems. As a carboxylic acid, it exhibits acidic properties, allowing it to participate in acid-base reactions. Its specific isotopic labeling can enhance the understanding of metabolic pathways and molecular interactions. The compound's CAS number, 840529-98-8, provides a unique identifier for regulatory and safety information. Overall, this compound is of interest in fields such as medicinal chemistry, pharmacology, and analytical chemistry due to its structural characteristics and isotopic labeling.

Formula: C₁₀H₆D₅NO₃

InChI: InChI=1/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

SMILES: c1(c(c(c(c(c1[2H])[2H])N=C(CCC(=O)O)O)[2H])[2H])[2H]

4-Anilino-4-oxobutanoic Acid-d5

CAS: 840529-98-8

4-Anilino-4-oxobutanoic Acid-d5

Formula: C₁₀H₆D₅NO₃

Purity: 99%

Molecular weight: 198.23

Ref: 54-DE3247

4-Anilino-4-oxobutanoic Acid-d5

Controlled Product

CAS: 840529-98-8

Applications The labelled metabolite (MII) of Suberoylanilide Hydroxamic Acid (S688700).
References Sun, W.S., et al.: J. Med. Chem., 46, 5619 (2003)

Formula: C₁₀₂H₅H₆NO₃

Color and Shape: Neat

Molecular weight: 198.23

Ref: TR-A663952