345909-99-1

345909-99-1 structure
345909-99-1 structure
  • Name: Methyl 3-(2H4)pyridinecarboxylate
  • Chemical Name: methyl nicotinate-2,4,5,6-d4
  • CAS Number: 345909-99-1
  • Molecular Formula: C7H3D4NO2
  • Molecular Weight: 141.161
  • Catalog: Research Areas Inflammation/Immunology
  • Create Date: 2018-06-03 08:00:00
  • Modify Date: 2024-01-12 17:51:56
  • 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].

Name methyl nicotinate-2,4,5,6-d4
Synonyms 3-Pyridine-d-carboxylic acid, methyl ester
Methyl (H)pyridine-3-carboxylate
Methyl 3-(H)pyridinecarboxylate
Description 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].
Related Catalog
In Vitro 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].
References

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

[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.

Density 1.1±0.1 g/cm3
Boiling Point 209.0±0.0 °C at 760 mmHg
Molecular Formula C7H3D4NO2
Molecular Weight 141.161
Flash Point 95.6±0.0 °C
Exact Mass 141.072784
PSA 39.19000
LogP 0.88
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.511