CAS 132929-88-5: trans-3′-Hydroxycotinine-O-glucuronide

Description: Trans-3′-Hydroxycotinine-O-glucuronide is a metabolite of nicotine, specifically a glucuronide conjugate of 3′-hydroxycotinine, which is one of the primary metabolites of nicotine in the human body. This compound is characterized by its glucuronidation, a biochemical process that enhances the solubility of lipophilic substances, facilitating their excretion from the body. It typically appears as a white to off-white solid and is soluble in water due to its polar nature. The presence of the glucuronide moiety contributes to its pharmacokinetic properties, influencing its distribution, metabolism, and elimination. Trans-3′-Hydroxycotinine-O-glucuronide is often studied in the context of tobacco use and nicotine metabolism, serving as a biomarker for exposure to nicotine. Its analysis can provide insights into smoking behavior and the effectiveness of smoking cessation therapies. As a chemical entity, it is important in toxicology and pharmacology, particularly in understanding the effects of nicotine and its metabolites on human health.

Formula: C₁₆H₂₀N₂O₈

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

InChI key: InChIKey=WALNNKZUGHYSCT-MGKNELHOSA-N

SMILES: O=C(O)C1OC(OC2C(=O)N(C)C(C=3C=NC=CC3)C2)C(O)C(O)C1O

Synonyms:

• (3R,5S)-1-Methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid
• (3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl beta-D-glucopyranosiduronic acid
• 1-O-(trans-3-Hydroxycotinine)-b-D-glucuronide
• trans-3'-Hydroxycotinine O--D-glucuronide
• trans-3′-Hydroxycotinine-O-glucuronide
• β-<span class="text-smallcaps">D</span>-Glucopyranosiduronic acid, (3R,5S)-1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl
• β-<span class="text-smallcaps">D</span>-Glucopyranosiduronic acid, 1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl, (3R-trans)-
• β-D-Glucopyranosiduronic acid, 1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl, (3R-trans)-
• (3R,5S)-1-Methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl β-D-glucopyranosiduronic acid
• β-D-Glucopyranosiduronic acid, (3R,5S)-1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl

β-D-Glucopyranosiduronic acid, (3R,5S)-1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl

CAS: 132929-88-5

• Formula: C₁₆H₂₀N₂O₈
• Color and Shape: Solid
• Molecular weight: 368.3386

1-O-(trans-3-Hydroxycotinine)-b-D-glucuronide

CAS: 132929-88-5

trans-3'-Hydroxy Cotinine O-beta-D-Glucuronide Sodium Salt

CAS: 132929-88-5

• Formula: C₁₆H₁₉N₂O₈·Na
• Color and Shape: Neat
• Molecular weight: 390.21

trans-3'-Hydroxy Cotinine O-β-D-Glucuronide Ammonium Salt

CAS: 132929-88-5

Stability Hygroscopic Applications A Nicotine (N412420) metabolite. Carcinogen. References Le Marchand, L., et al.: Cancer …

• Formula: C₁₆H₂₀N₂O₈·x(NH₃)
• Color and Shape: White To Pale Beige Solid
• Molecular weight: 368.34 + x(17.03)

1-O-(trans-3-Hydroxycotinine)-b-D-glucuronide ammonium salt

CAS: 132929-88-5

Please enquire for more information about 1-O-(trans-3-Hydroxycotinine)-b-D-glucuronide ammonium salt including the price, delivery time and …

• Formula: C₁₆H₂₀N₂O₈•(NH₃)x
• Purity: Min. 97%
• Color and Shape: White Powder
• Molecular weight: 368.34 g/mol

rac-trans-3'-Hydroxy Cotinine-d3 O-β-D-Glucuronide (mixture of diastereomers)

CAS: 132929-88-5

• Formula: C₁₆H₁₇D₃N₂O₈
• Color and Shape: Neat
• Molecular weight: 371.36