p-Toluic acid-d7

• CAT Number: I041679
• CAS Number: 1219798-76-1
• Molecular Formula: C8HD7O2
• Molecular Weight: 143.19
• Purity: ≥95%
• Synonyms: 2,3,5,6-tetradeuterio-4-(trideuteriomethyl)benzoic acid
• InChI: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/i1D3,2D,3D,4D,5D
• InChIKey: LPNBBFKOUUSUDB-AAYPNNLASA-N
• SMILES: CC1=CC=C(C=C1)C(=O)O

p-Toluic acid-d7 is the deuterium labeled p-Toluic acid[1]. p-Toluic acid (4-Methylbenzoic acid) is a substituted benzoic acid and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc.
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].

Reference

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.
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