Ziprasidone Sulfoxide

Base Information

• Chemical Name: Ziprasidone Sulfoxide
• CAS No.: 188797-80-0
• Molecular Formula: C₂₁H₂₁ClN₄O₂S
• Molecular Weight: 428.942
• UNII: 5VV7CA4473
• DSSTox Substance ID: DTXSID90580482
• Nikkaji Number: J1.321.146I
• Mol file: 188797-80-0.mol

Synonyms:Ziprasidone Sulfoxide;188797-80-0;Ziprasidone (m10);5VV7CA4473;6-chloro-5-[2-[4-(1-oxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;UNII-5VV7CA4473;2H-Indol-2-one, 6-chloro-1,3-dihydro-5-(2-(4-(1-oxido-1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-;DTXSID90580482;XYYQWGUKBVTGJQ-UHFFFAOYSA-N;NS00116689;3-{4-[2-(6-Chloro-2-oxo-2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl}-1H-1lambda~4~,2-benzothiazol-1-one

Chemical Property of Ziprasidone Sulfoxide

Chemical Property:

• Melting Point: 145-148°C
• PKA: 13.34±0.20(Predicted)
• PSA: 90.73000
• Density: 1.56±0.1 g/cm3(Predicted)
• LogP: 3.77820
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 428.1073748
• Heavy Atom Count: 29
• Complexity: 696

Purity/Quality:

97% ^*data from raw suppliers

ZiprasidoneSulfoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NS(=O)C5=CC=CC=C54
• Uses: A metabolite of Ziprasidone (Z485000). A metabolite of Ziprasidone

Technology Process of Ziprasidone Sulfoxide

There total 2 articles about Ziprasidone Sulfoxide 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:

ziprazidone (122883-93-6,199191-69-0,146939-27-7) → Ziprasidone sulfoxide (188797-80-0)

Guidance literature:

With dihydrogen peroxide; In water; acetonitrile; at 20 ℃; for 24h;

Reference yield:

ziprasidone hydrochloride → Ziprasidone sulfoxide (188797-80-0)

Guidance literature:

With water; dihydrogen peroxide; In methanol; at 80 ℃; for 0.833333h; Temperature; Time; Kinetics;

DOI:10.1007/s10895-011-0855-x

upstream raw materials:

ziprazidone

Refernces

• 1、 -. "Methods and compositions for the treatment of neuroleptic and related disorders using ziprasidone metabolites". Page/Page column 7. . Retrieved 2008/06/13.