145919-96-6

Basic information

• Product Name: ((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl)-{3-[6H-dibenzo[b,e]oxepin-(11E)-ylidene]-propyl}-dimethyl-ammonium; chloride
• CAS NO: 145919-96-6
• Molecular Weight: 491.969
• Mol File: 145919-96-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: ((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl)-{3-[6H-dibenzo[b,e]oxepin-(11E)-ylidene]-propyl}-dimethyl-ammonium; chloride(CAS DataBase Reference)
• NIST Chemistry Reference: ((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl)-{3-[6H-dibenzo[b,e]oxepin-(11E)-ylidene]-propyl}-dimethyl-ammonium; chloride(145919-96-6)
• EPA Substance Registry System: ((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl)-{3-[6H-dibenzo[b,e]oxepin-(11E)-ylidene]-propyl}-dimethyl-ammonium; chloride(145919-96-6)

Safety Data

• Hazardous Substances Data: 145919-96-6(Hazardous Substances Data)

Upstream product

• 1668-19-5 doxepin 
• 21085-72-3 1-bromo-2,3,4-tri-O-acetyl-α-D-glucuronic acid methyl ester 

Relevant articles and documents

Synthesis and characterization of quaternary ammonium-linked glucuronide metabolites of drugs with an aliphatic tertiary amine group

A synthetic approach was developed to make the quaternary ammonium-linked glucuronide metabolites of compounds with an aliphatic tertiary amine group. The key step involved quaternization of the compound with methyl (2,3,4-tri- O-acetyl-α-D-glucopyranosyl bromide)uronate and sodium bicarbonate in a two- phase system of water and an organic solvent. The synthetic approach successfully yielded quaternary ammonium-linked glucuronides of 20 drugs and two of their phase I metabolites. The drugs were from various pharmacological classes: H1 antihistamines, antipsychotic agents, and tricyclic antidepressants. Physical data such as HPLC retention times, and diagnostic fast-atom bombardment mass spectra and 1H NMR spectra were obtained. These should aid in the characterization of compounds in samples isolated from biological media.