Mesoridazine

Base Information

• Chemical Name: Mesoridazine
• CAS No.: 5588-33-0
• Molecular Formula: C21H26 N2 O S2
• Molecular Weight: 386.582
• NSC Number: 186066
• UNII: 5XE4NWM740
• DSSTox Substance ID: DTXSID3023265
• Nikkaji Number: J8.016K
• Wikipedia: Mesoridazine
• Wikidata: Q6821618
• NCI Thesaurus Code: C66100
• Pharos Ligand ID: RFRXFN6LSFV6
• Metabolomics Workbench ID: 43195
• ChEMBL ID: CHEMBL1088
• Mol file: 5588-33-0.mol

Synonyms:Mesoridazine;Serentil

Chemical Property of Mesoridazine

Chemical Property:

• Vapor Pressure: 4.99E-13mmHg at 25°C
• Melting Point: 128-131 °C
• Refractive Index: 1.5950 (estimate)
• Boiling Point: 570.5°Cat760mmHg
• PKA: 9.84±0.10(Predicted)
• Flash Point: 298.9°C
• PSA: 68.06000
• Density: 1.3g/cm³
• LogP: 5.76970
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 386.14865580
• Heavy Atom Count: 26
• Complexity: 502

Purity/Quality:

99% ^*data from raw suppliers

Mesoridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C
• Uses: Mesoridazine (Thioridazine EP Impurity B) is an antipsychotic. Mesoridazine is an antipsychotic.
• Therapeutic Function: Tranquilizer

Technology Process of Mesoridazine

There total 3 articles about Mesoridazine 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: 91.0%

thioridazine (50-52-2,52496-67-0,57129-06-3,114488-10-7) → mesoridazine (5588-33-0)

Guidance literature:

With aluminium trichloride; titanium(III) chloride; dihydrogen peroxide; In methanol; at 20 ℃; for 0.0833333h;

DOI:10.1002/hlca.200590089

Reference yield:

→ mesoridazine (5588-33-0)

Guidance literature:

Entspr.Phenothiazin/2-(1-Methyl-2-piperidyl)ethanol;

Reference yield:

→ Thioridazin-sulfoxid (Serentil)-Radikal (5588-33-0)

Guidance literature:

Thioridazin-sulfoxid, 1 Aeq. H2O2;

DOI:10.1021/jm00279a006

upstream raw materials:

thioridazine

Downstream raw materials:

sulforidazine

1-((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl)-2-[2-(2-methanesulfinyl-phenothiazin-10-yl)-ethyl]-1-methyl-piperidinium; chloride

Refernces

• 1、 Pawelczyk,Marciniec. "Chemical characterization of decomposition products of drugs. V. Products of autoxidation and photo oxidation of thioridazine hydrochloride". . p. 585 - 589. Retrieved 2007/10/04.