For research use only. Not for therapeutic Use.
3-Methyl Hippuric acid-d7(Cat No.:S000394) is a deuterated version of 3-methyl Hippuric acid, where seven hydrogen atoms are replaced with deuterium. This modification enhances the compound’s stability, making it ideal for detailed pharmacokinetic and metabolic research. 3-Methyl hippuric acid is a metabolite of xylene, an organic solvent, and its presence in biological samples is often used as a biomarker for xylene exposure. The deuterated version provides a valuable tool for studying the metabolic pathways and detoxification processes of xylene in the human body.
Catalog Number | S000394 |
CAS Number | 1216551-07-3 |
Molecular Formula | C10H4D7NO3 |
Purity | ≥95% |
IUPAC Name | 2-[[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)benzoyl]amino]acetic acid |
InChI | InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)/i1D3,2D,3D,4D,5D |
InChIKey | YKAKNMHEIJUKEX-AAYPNNLASA-N |
SMILES | CC1=CC(=CC=C1)C(=O)NCC(=O)O |