128923-28-4

Basic information

• Product Name: Org 5222 glucuronide
• Synonyms: Org 5222 glucuronide;N-DesMethyl Asenapine N-CarbaMoyl Glucuronide
• CAS NO: 128923-28-4
• Molecular Formula: C23H22ClNO9
• Molecular Weight: 491.87508
• Product Categories: Aromatics, Heterocycles, Isotope Labelled Compounds, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 128923-28-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 691.2°C at 760 mmHg
• Flash Point: 371.8°C
• Appearance: /
• Density: 1.66g/cm³
• Vapor Pressure: 4.66E-20mmHg at 25°C
• Refractive Index: 1.719
• CAS DataBase Reference: Org 5222 glucuronide(CAS DataBase Reference)
• NIST Chemistry Reference: Org 5222 glucuronide(128923-28-4)
• EPA Substance Registry System: Org 5222 glucuronide(128923-28-4)

Safety Data

• Hazardous Substances Data: 128923-28-4(Hazardous Substances Data)

Usage

Uses

N-Desmethyl Asenapine N-Carbamoyl Glucuronide, is a metabolite of Asenpine (A788000), an combined serotonin (5HT2) and dopamine (D2) receptor antagonist; structurally related to Mianserin (M341500).

InChI:InChI=1/C23H22ClNO9/c24-10-5-6-16-12(7-10)14-9-25(8-13(14)11-3-1-2-4-15(11)32-16)23(31)34-22-19(28)17(26)18(27)20(33-22)21(29)30/h1-7,13-14,17-20,22,26-28H,8-9H2,(H,29,30)/t13?,14?,17-,18-,19+,20-,22-/m0/s1

Upstream product

• 85650-56-2 trans-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz<2,3:6,7>oxepino<4,5-c>pyrrolidine maleate 

Relevant articles and documents

Biotransformation of trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H- dibenz[2,3:6,7]oxepino[4,5-c]pyrrolidine maleate in rats

The metabolism of trans-5-chloro-2-methyl-2,3,3a-12b-tetrahydro-1H- dibenz[2,3:6,7]oxepino[4,5-c]pyrrolidine maleate (Org 5222) labelled with [3H] or [14C] was investigated in Wistar rats. Metabolites were identified by mass spectrometry, 13C- and 1H-NMR analysis, IR spectroscopy and, wherever possible, by comparison with authentic reference compounds. The metabolites found in plasma, bile, faeces and urine revealed the processes of metabolism in which Org 5222 underwent oxidation to yield an N-oxide existing in two diastereoisomeric forms, or N-demethylation to yield a demethyl metabolite. A novel metabolite was found in bile viz. a carbamate glucuronide, formed from an intermediate carbamic acid, derived from the addition of CO2 to the demethyl metabolite.