Haloperidol decanoate

Base Information

• Chemical Name: Haloperidol decanoate
• CAS No.: 74050-97-8
• Deprecated CAS: 77129-05-6
• Molecular Formula: C₃₁H₄₁ClFNO₃
• Molecular Weight: 530.123
• Hs Code.: 2933399090
• European Community (EC) Number: 277-679-7
• UNII: AC20PJ4101
• DSSTox Substance ID: DTXSID50224951
• Nikkaji Number: J12.121E
• Wikipedia: Haloperidol_decanoate
• Wikidata: Q27273855
• NCI Thesaurus Code: C47998
• RXCUI: 26420
• Pharos Ligand ID: N4AXGY26TUAU
• ChEMBL ID: CHEMBL1200986
• Mol file: 74050-97-8.mol

Synonyms:haloperidol decanoate

Chemical Property of Haloperidol decanoate

Chemical Property:

• Vapor Pressure: 4.38E-15mmHg at 25°C
• Melting Point: 326.1 °C
• Refractive Index: 1.554
• Boiling Point: 615.5 °C at 760 mmHg
• Flash Point: 326.1°C
• PSA: 46.61000
• Density: 1.14 g/cm³
• LogP: 8.05510
• Solubility.: Practically insoluble in water, very soluble in ethanol (96 per cent), in methanol and in methylene chloride.
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 529.2759000
• Heavy Atom Count: 37
• Complexity: 665

Purity/Quality:

98%Min ^*data from raw suppliers

Haloperidol decanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl
• Recent ClinicalTrials: Haloperidol and Lorazepam for Delirium in Patients With Advanced Cancer
• Recent EU Clinical Trials: TAILOR - a randomized clinical trial: Tapered discontinuation versus maintenance therapy of antipsychotic medication in patients with newly diagnosed schizophrenia or schizophreniform psychosis in remission of psychotic symptoms
• Uses: Haloperidol Decanoate is an antipsychotic and antidyskinetic agent.

Technology Process of Haloperidol decanoate

There total 2 articles about Haloperidol decanoate 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:

haloperidol (52-86-8) + n-decanoyl chloride (112-13-0) → Haloperidol decanoate (74050-97-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2014.06.079

Reference yield:

1-decanoic acid (334-48-5) → Haloperidol decanoate (74050-97-8)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / dichloromethane / 24 h / 20 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C / Inert atmosphere

With oxalyl dichloride; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1016/j.bmcl.2014.06.079

upstream raw materials:

1-decanoic acid

haloperidol

n-decanoyl chloride

Refernces