trans-3'-Hydroxy Cotinine N-β-D-Glucuronide

CAS: 146275-18-5

Ref. TR-H924530

Product Information

• Name: trans-3'-Hydroxy Cotinine N-β-D-Glucuronide
• Synonyms: Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S,4R)-4-hydroxy-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt (9CI, ACI), Pyridinium, 1-β-D-glucopyranuronosyl-3-(4-hydroxy-1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (2S-trans)- (ZCI), trans-3'-Hydroxycotinine-N-glucuronide, 1-β-D-Glucopyranuronosyl-3-[(2S,4R)-4-hydroxy-1-methyl-5-oxo-2-pyrrolidinyl]pyridinium inner salt, (3R,5S)-3-Hydroxy-1-methyl-5-(3'-pyridinyl)-2-pyrrolidinone N'-β-D-Glucuronide
• Brand: TRC
• Description: Applications It is a major metabolite of Nicotine in humans. Carcinogen.References Byrd, G., et al.: Drug Metab. Dispos., 20, 192 (1992), Benowitz, N., et al.: Br. J. Clin. Pharmacol., 51, 53 (2001), Hanioka, N., et al.: Xenobiotica, 31, 687 (2001), Ethell, B., et al.: Biochem. Pharmacol., 65, 1441 (2003), Yamanaka, H., et al.: Eur. J. Pharm. Sci., 22, 419 (2004),

Chemical properties

• Molecular weight: 368.34
• Formula: C₁₆H₂₀N₂O₈
• Color/Form: Neat
• InChI: InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8-,9+,10-,11-,12+,13-,16+/m0/s1
• SMILES: CN1C(=O)[C@H](O)C[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1