Sulforidazine

Base Information

• Chemical Name: Sulforidazine
• CAS No.: 14759-06-9
• Molecular Formula: C21H26 N2 O2 S2
• Molecular Weight: 402.582
• Hs Code.: 2934300000
• European Community (EC) Number: 238-818-7
• UNII: B7599I244X
• DSSTox Substance ID: DTXSID30864531
• Nikkaji Number: J8.517K
• Wikipedia: Sulforidazine
• Wikidata: Q7636215
• NCI Thesaurus Code: C84185
• Metabolomics Workbench ID: 49696
• ChEMBL ID: CHEMBL2107268
• Mol file: 14759-06-9.mol

Synonyms:sulforidazine

Chemical Property of Sulforidazine

Chemical Property:

• Vapor Pressure: 7.45E-14mmHg at 25°C
• Melting Point: 121-123°
• Boiling Point: 589.1°Cat760mmHg
• PKA: 9.83±0.10(Predicted)
• Flash Point: 310.1°C
• PSA: 74.30000
• Density: 1.221g/cm³
• LogP: 5.65090
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 402.14357042
• Heavy Atom Count: 27
• Complexity: 606

Purity/Quality:

98%Min ^*data from raw suppliers

Thioridazine2-Sulfone ^*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)(=O)C
• Uses: A major metabolite of Thioridazine (THD 2-SO2). Thioridazine 2-Sulfone (Thioridazine EP Impurity E) is a major metabolite of Thioridazine (THD 2-SO2).
• Therapeutic Function: Neuroleptic

Technology Process of Sulforidazine

There total 4 articles about Sulforidazine 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: 52.0%

mesoridazine (5588-33-0) → sulforidazine (14759-06-9)

Guidance literature:

With potassium permanganate; In acetone; at 45 ℃;

DOI:10.1002/hlca.200590089

Reference yield:

mesoridazine besylate (32672-69-8) → sulforidazine (14759-06-9) + C21H26N2OS + C20H24N2OS2 + C21H26N2O2S2 + C21H26N2O2S2 + thioridazine (50-52-2,52496-67-0,57129-06-3,114488-10-7)

Guidance literature:

at 20 ℃; for 4.26667h; pH=7; Kinetics; Quantum yield; Photolysis;

DOI:10.1016/j.scitotenv.2017.08.040

Reference yield:

thioridazine (50-52-2,52496-67-0,57129-06-3,114488-10-7) → sulforidazine (14759-06-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / aq. H₂O₂; TiCl₃; AlCl₃ / methanol / 0.08 h / 20 °C

2: 52 percent / aq. KMnO₄ / acetone / 45 °C

With potassium permanganate; aluminium trichloride; titanium(III) chloride; dihydrogen peroxide; In methanol; acetone;

DOI:10.1002/hlca.200590089

upstream raw materials:

mesoridazine

thioridazine

mesoridazine besylate

Downstream raw materials:

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

Refernces

• 1、 Wilde, Marcelo L.,Menz, Jakob,Leder, Christoph,Kümmerer, Klaus. "Combination of experimental and in silico methods for the assessment of the phototransformation products of the antipsychotic drug/metabolite Mesoridazine". . p. 697 - 711. Retrieved 2017/10/26.