Zuclopenthixol

Base Information

• Chemical Name: Zuclopenthixol
• CAS No.: 982-24-1
• Molecular Formula: C22H25 Cl N2 O S
• Molecular Weight: 400.972
• Hs Code.: 2934999090
• European Community (EC) Number: 213-566-0,258-758-5,261-080-2
• UNII: 47ISU063SG
• DSSTox Substance ID: DTXSID3048233
• Nikkaji Number: J32.497C
• Wikipedia: Zuclopenthixol,Clopenthixol
• Wikidata: Q228143
• NCI Thesaurus Code: C154301,C66713,C95837
• Pharos Ligand ID: W34CD16VUPW2
• Metabolomics Workbench ID: 43608
• ChEMBL ID: CHEMBL53904
• Mol file: 982-24-1.mol

Synonyms:alpha Clopenthixol;alpha-Clopenthixol;Cisordinol;Clopenthixol;Zuclopenthixol

Chemical Property of Zuclopenthixol

Chemical Property:

• Boiling Point: 577.4°Cat760mmHg
• PKA: pKa 6.69 (Uncertain)
• Flash Point: 303°C
• PSA: 52.01000
• Density: 1.289g/cm³
• LogP: 4.11210
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 400.1376123
• Heavy Atom Count: 27
• Complexity: 509

Purity/Quality:

98%Min ^*data from raw suppliers

trans-Clopenthixol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO
• Isomeric SMILES: C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO
• Recent ClinicalTrials: Evaluation of the Necessity of Long-term Pharmacological Treatment With Antipsychotics in Schizophrenic Patients
• Recent EU Clinical Trials: PREemptive Pharmacogenomic testing for Preventing Adverse drug REactions
• Uses: Antipsychotic.

Technology Process of Zuclopenthixol

There total 1 articles about Zuclopenthixol 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:

→ 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-1-piperazineethanol (982-24-1,53772-83-1,53772-84-2)

Guidance literature:

2-Chlor-9-<3-piperazino-propyliden>-thioxanthen, Aethylenoxid;

Reference yield:

acetic anhydride (108-24-7) + 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-1-piperazineethanol (982-24-1,53772-83-1,53772-84-2) → zuclopenthixol acetate (85721-05-7)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃;

Downstream raw materials:

zuclopenthixol acetate