Eticlopride

Base Information

• Chemical Name: Eticlopride
• CAS No.: 84226-12-0
• Molecular Formula: C₁₇H₂₅ClN₂O₃
• Molecular Weight: 340.85
• UNII: J8M468HBH4
• DSSTox Substance ID: DTXSID9048435
• Nikkaji Number: J342.331J
• Wikipedia: Eticlopride
• Wikidata: Q12745201
• NCI Thesaurus Code: C65572
• Pharos Ligand ID: 7AUYSAFMU5KP
• Metabolomics Workbench ID: 155520
• ChEMBL ID: CHEMBL8946
• Mol file: 84226-12-0.mol

Synonyms:5-chloro-3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-methoxysalicylamide;A 38503;eticlopride;FLB 131;FLB-131

Chemical Property of Eticlopride

Chemical Property:

• Vapor Pressure: 5E-08mmHg at 25°C
• Boiling Point: 430.8°C at 760 mmHg
• Flash Point: 214.4°C
• PSA: 61.80000
• Density: 1.173g/cm³
• LogP: 3.96150
• Solubility.: H2O: 12 mg/mL, soluble
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 340.1553704
• Heavy Atom Count: 23
• Complexity: 396

Purity/Quality:

99%min ^*data from raw suppliers

Eticlopride hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Cl
• Isomeric SMILES: CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2CC)OC)Cl
• Uses: R (+)-Eticlopride is a dopamine D2-receptor antagonist.

Technology Process of Eticlopride

There total 1 articles about Eticlopride 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:

3-Chloro-5-ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide (98575-96-3) → eticlopride (84226-12-0,151060-29-6,151123-04-5,97612-24-3) + Isoeticlopride (84226-13-1)

Guidance literature:

With hydrogenchloride; boron tribromide; In diethyl ether; dichloromethane; for 1.5h; Ambient temperature;

DOI:10.1021/jm00151a010

upstream raw materials:

3-Chloro-5-ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide

Refernces