Cotinine N-Beta-D-Glucuronide

CAS: 139427-57-9

Ref. TR-C725175

Product Information

• Name: Cotinine N-Beta-D-Glucuronide
• Synonyms: Pyridinium, 1-ß-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt, Pyridinium, 1-ß-D-glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (S)-, Cotinine-N-glucuronide, Cotinine N-ß-D-Glucuronide, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridinium-1-yl}tetrahydro-2H-pyran-2-carboxylate (non-preferred name), Cotinine-N-A-D-Glucuronide, Cotinine-N-Alpha-D-Glucuronide, Cotinine-N-B-D-Glucuronide, Cotinine-N-B-D-Glucuronide, Methyl-D3, Cotinine-N-Beta-D-Glucuronide, Cotinine-N-Beta-D-Glucuronide, Methyl-D3, N-Beta-D-Glucopyranuronosyl-(S)-(-)-Cotinium Inner Salt, Pyridinium, 1-β-<span class="text-smallcaps">D</span>-glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (S)-, Pyridinium, 1-β-<span class="text-smallcaps">D</span>-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt, Pyridinium, 1-β-D-glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (S)-, Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt

Description

Stability Hygroscopic
Applications A major metabolite of Nicotine in humans. Carcinogen.
References Benowitz, N., et al.: Clin. Pharmacol. Ther., 56, 483 (1994), Nakajima, M., et al.: Drug Metab. Dispos., 24, 1212 (1996), Messina, E., et al.: J. Pharmacol. Exp. Ther., 282, 1608 (1997), Oscarson, M., et al.: Hum. Mutat., 20, 275 (2002),

• Brand: TRC

Chemical properties

• Molecular weight: 352.34
• Formula: C₁₆H₂₀N₂O₇
• Color/Form: Off White Solid
• InChI: InChI=1S/C16H20N2O7/c1-17-6-9(5-10(17)19)8-3-2-4-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-4,7,9,11-15,20-22H,5-6H2,1H3/t9-,11+,12+,13-,14+,15-/m1/s1
• SMILES: CN1C(=O)CC[C@@H]1c1ccc[n+]([C@H]2O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]2O)c1