Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
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.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-010525 |
CAS: 840529-98-8 |
Molecular Formula: C10H6D5NO3 |
Molecular Weight: 198.23 |
Chemical Structure |
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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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