5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate-d3

• CAT Number: I043237
• CAS Number: 2251781-83-4
• Molecular Formula: C14H8D3F3O3S2
• Molecular Weight: 351.38
• Purity: ≥95%
• Synonyms: 5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
• InChI: InChI=1S/C13H11S.CHF3O3S/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/q+1;/p-1/i1D3
• InChIKey: ROHWBLNJJVPWCN-NIIDSAIPSA-M
• SMILES: C[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]

5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate-d3 is the deuterium labeled 5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate[1].
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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