Zotepine

Base Information

• Chemical Name: Zotepine
• CAS No.: 26615-21-4
• Molecular Formula: C18H18ClN
• Molecular Weight: 331.866
• European Community (EC) Number: 662-775-7
• UNII: U29O83JAZW
• DSSTox Substance ID: DTXSID9023756
• Nikkaji Number: J3.479G
• Wikipedia: Zotepine
• Wikidata: Q226905
• NCI Thesaurus Code: C81096
• Pharos Ligand ID: JMB4KPACRKST
• Metabolomics Workbench ID: 54535
• ChEMBL ID: CHEMBL285802
• Mol file: 26615-21-4.mol

Synonyms:2-chloro-11-(2-dimethylaminoethoxy)dibenzo(b,f)thiepine;Nipolept;Zoleptil;zotepine

Chemical Property of Zotepine

Chemical Property:

• Vapor Pressure: 2.57E-09mmHg at 25°C
• Melting Point: 90-91°
• Refractive Index: 1.655
• Boiling Point: 478.449 °C at 760 mmHg
• PKA: 8.72±0.28(Predicted)
• Flash Point: 243.157 °C
• PSA: 37.77000
• Density: 1.279 g/cm³
• LogP: 4.88090
• Storage Temp.: Store at RT
• Solubility.: DMSO: ≥20mg/mL
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 331.0797631
• Heavy Atom Count: 22
• Complexity: 401

Purity/Quality:

99% ^*data from raw suppliers

Zotepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-50/53
• Safety Statements: 45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
• Recent ClinicalTrials: An Observational Drug Utilization Study of Asenapine in the United Kingdom (P08308)
• Recent EU Clinical Trials: English: Are Antipsychotics Neurotoxic or Neuroprotective? A Randomised Multicentre Longitudinal Study for Comparison of Two Therapy Strategies for the Treatment of Schizophrenia.
• Recent NIPH Clinical Trials: Efficacy and safety of zotepine in critically ill patients with agitation: A prospective, cohort observational study
• Therapeutic Function: Tranquilizer

Technology Process of Zotepine

There total 4 articles about Zotepine 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: 42.0%

(2E)-3-phenyl-2-propen-1-ol (4407-36-7) + zotepine N20-oxide → zotepine (26615-21-4) + 1-phenyl-propane-1,2,3-triol (63157-81-3)

Guidance literature:

With osmium(VIII) oxide; In water; tert-butyl alcohol; at 20 ℃; for 19h; Inert atmosphere;

DOI:10.1055/s-0033-1338519

Reference yield: 28.0%

zotepine N20-oxide → zotepine (26615-21-4) + zotepine N,S-dioxide + Zotepine S-oxide

Guidance literature:

With styrene; osmium(VIII) oxide; In water; tert-butyl alcohol; at 20 ℃; for 19h; Inert atmosphere;

DOI:10.1055/s-0033-1338519

Reference yield:

→ zotepine (26615-21-4)

Guidance literature:

Thiepinon (Vb), NaH, Me2N-(CH2)2-Cl;

DOI:10.1248/cpb.26.3058

upstream raw materials:

(2E)-3-phenyl-2-propen-1-ol

Refernces

• 1、 -. "Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis". . . Retrieved 2008/06/13.