CAS: 139427-57-9 - Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt

Formula: C₁₆H₂₀N₂O₇

InChI: InChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/t9-,11-,12-,13+,14-,15+/m0/s1

InChI key: InChIKey=XWZCZWKUGIQPJD-LKUTUIMVSA-N

SMILES: O=C([O-])C1OC([N+]=2C=CC=C(C2)C3N(C(=O)CC3)C)C(O)C(O)C1O

Synonyms:

• (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
• Cotinine-N-glucuronide
• 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

Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt

CAS: 139427-57-9

• Formula: C₁₆H₂₀N₂O₇
• Color and Shape: Solid
• Molecular weight: 352.3392

Cotinine b-D-glucuronide

CAS: 139427-57-9

Cotinine N-β-D-Glucuronide

CAS: 139427-57-9

Stability Hygroscopic Applications A major metabolite of Nicotine in humans. Carcinogen. References Benowitz, N., et …

• Formula: C₁₆H₂₀N₂O₇
• Color and Shape: Off White Solid
• Molecular weight: 352.34

(R)-Cotinine-d3 N-β-D-Glucuronide

CAS: 139427-57-9

• Formula: C₁₆H₁₇D₃N₂O₇
• Color and Shape: Neat
• Molecular weight: 355.36

(S)-Cotinine-d3 N-β-D-Glucuronide

CAS: 139427-57-9

• Formula: C₁₆D₃H₁₇N₂O₇
• Color and Shape: Neat
• Molecular weight: 355.358

Cotinine b-D-glucuronide

CAS: 139427-57-9

Cotinine is a major metabolite of nicotine. It is excreted in the urine and has …

• Formula: C₁₆H₂₀N₂O₇
• Purity: Min. 95%
• Molecular weight: 352.34 g/mol