For research use only. Not for therapeutic Use.
trans-trans-Muconic acid-d4 is the deuterium labeled trans-trans-Muconic acid[1]. trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human[2].
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
| Catalog Number | I041826 |
| CAS Number | 1955496-83-9 |
| Synonyms | (2E,4E)-2,3,4,5-tetradeuteriohexa-2,4-dienedioic acid |
| Molecular Formula | C6H2D4O4 |
| Purity | ≥95% |
| InChI | InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+/i1D,2D,3D,4D |
| InChIKey | TXXHDPDFNKHHGW-NFCKNUJASA-N |
| SMILES | C(=CC(=O)O)C=CC(=O)O |
| Reference | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Bartczak A, ET AL. Evaluation of assays for the identification and quantitation of muconic acid, a benzene metabolite in human urine. J Toxicol Environ Health. 1994 Jul;42(3):245-58. |
