Org 5222 glucuronide

Base Information

• Chemical Name: Org 5222 glucuronide
• CAS No.: 128923-28-4
• Molecular Formula: C₂₃H₂₂ClNO₉
• Molecular Weight: 491.882
• DSSTox Substance ID: DTXSID00926236
• Mol file: 128923-28-4.mol

Synonyms:Org 5222 glucuronide;Org-5222-glucuronide

Chemical Property of Org 5222 glucuronide

Chemical Property:

• Vapor Pressure: 4.66E-20mmHg at 25°C
• Boiling Point: 691.2°C at 760 mmHg
• Flash Point: 371.8°C
• PSA: 145.99000
• Density: 1.66g/cm³
• LogP: 1.59540
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 491.0983090
• Heavy Atom Count: 34
• Complexity: 786

Purity/Quality:

99% ^*data from raw suppliers

N-DesmethylAsenapineN-CarbamoylGlucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(CN1C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=C(C=CC(=C4)Cl)OC5=CC=CC=C25
• Isomeric SMILES: C1C2C(CN1C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=C(C=CC(=C4)Cl)OC5=CC=CC=C25
• 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).

Technology Process of Org 5222 glucuronide

There total 1 articles about Org 5222 glucuronide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

trans-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz<2,3:6,7>oxepino<4,5-c>pyrrolidine maleate (85650-56-2,85650-55-1) → trans-5-chloro-2,3,3a,12b-tetrahydro-1H-dibenz<2,3:6,7>oxepino<4,5-c>pyrrole (128915-56-0,136085-14-8,136085-16-0,136085-18-2) + asenapine N-oxide (128915-55-9,128949-51-9) + 5-Chloro-1,3,3a,12b-tetrahydro-8-oxa-2-aza-dibenzo[e,h]azulene-2-carboxylic acid (2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl ester (128923-28-4)

Guidance literature:

biotransformation (Wistar rat);

upstream raw materials:

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

Refernces