CAS 329002-74-6

3,4,5-trihydroxy-6-[3-[1-(trideuteriomethyl)pyrrolidin-2-yl]pyridin-1-ium-1-yl]tetrahydropyran-2-carboxylate

Description:

3,4,5-trihydroxy-6-[3-[1-(trideuteriomethyl)pyrrolidin-2-yl]pyridin-1-ium-1-yl]tetrahydropyran-2-carboxylate, with CAS number 329002-74-6, is a complex organic compound characterized by its multiple hydroxyl groups and a carboxylate functional group, which contribute to its solubility and reactivity. The presence of a pyridinium moiety indicates that it possesses a positively charged nitrogen atom, enhancing its potential for interactions with biological molecules. The trideuteriomethyl substitution suggests isotopic labeling, which can be useful in studies involving metabolic pathways or tracking molecular interactions. The tetrahydropyran ring structure provides a cyclic framework that can influence the compound's conformation and stability. Overall, this compound's unique structural features may impart specific biological activities or pharmacological properties, making it of interest in medicinal chemistry and related fields. Its synthesis and characterization would typically involve advanced organic chemistry techniques to ensure purity and confirm its structural integrity.

Formula: C₁₆H₁₉D₃N₂O₆

InChI: InChI=1/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/i1D3

SMILES: C(N1CCCC1c1ccc[n+](c1)C1C(C(C(C(C(=O)[O-])O1)O)O)O)([2H])([2H])[2H]

Nicotine-N-b-D-glucuronide methyl-D3

CAS: 329002-74-6

Ref: 7W-GC6013

(S)-Nicotine-d3 N-β-D-Glucuronide

Controlled Product

CAS: 329002-74-6

Applications (S)-Nicotine-d3 N-β-D-Glucuronide is a labelled analogue of Nicotine N-β-D-Glucuronide (N424575), a Nicotine (N412420) metabolite in rat brain. Nicotine N-β-D-Glucuronide is used as a Nicotine biomarker in rat brain.
References Alexandrov, K., et al.: Toxicol. Lett., 198, 63 (2010), Huang, L., et al.: J. Neurochem., 109, 826 (2009), Quik, M., et al.: Biochem. Pharmacol., 78, 677 (2009), Weems, J., et al.: Chem. Res. Toxicol., 23, 696 (2010),

Formula: C₁₆H₁₉D₃N₂O₆

Color and Shape: Neat

Molecular weight: 341.37

Ref: TR-N424577