Methyl nicotinate-d4

• CAT Number: I041665
• CAS Number: 345909-99-1
• Molecular Formula: C7H3D4NO2
• Molecular Weight: 141.16
• Purity: ≥95%
• Synonyms: methyl 2,4,5,6-tetradeuteriopyridine-3-carboxylate
• InChI: InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3/i2D,3D,4D,5D
• InChIKey: YNBADRVTZLEFNH-QFFDRWTDSA-N
• SMILES: COC(=O)C1=CN=CC=C1

Methyl nicotinate-d4 is the deuterium labeled Methyl nicotinate[1]. Methyl nicotinate, the methyl ester of Niacin found in alcoholic beverages, that is used as an active ingredient as a rubefacient in over-the-counter topical preparations indicated for muscle and joint pain[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].

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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[2]. L. Johnston, et al. Muscle and joint pain: topical anti-inflammatories and analgesics: therapeutic. Professional Nursing Today, Volume 17, Issue 1, Jan 2013, p. 4-5.