Asenapine N-Oxide

Base Information

• Chemical Name: Asenapine N-Oxide
• CAS No.: 128949-51-9
• Molecular Formula: C17H16ClNO2
• Molecular Weight: 301.76744
• European Community (EC) Number: 968-663-7
• Mol file: 128949-51-9.mol

Synonyms:Asenapine N-Oxide;128949-51-9;9-Chloro-4-methyl-4-oxido-13-oxa-4-azoniatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;BCP14216;(3aR-trans)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole 2-Oxide

Chemical Property of Asenapine N-Oxide

Chemical Property:

• PSA: 38.66000
• LogP: 4.22990
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 301.0869564
• Heavy Atom Count: 21
• Complexity: 406

Purity/Quality:

99% ^*data from raw suppliers

Asenapine N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24)[O-]
• Uses: A metabolite of Asenapine (A788000).

Technology Process of Asenapine N-Oxide

There total 1 articles about Asenapine N-Oxide 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