Clebopride

Base Information

• Chemical Name: Clebopride
• CAS No.: 55905-53-8
• Molecular Formula: C20H24ClN3O2
• Molecular Weight: 373.882
• Hs Code.: 2933399090
• European Community (EC) Number: 259-885-9
• UNII: I0A84520Y9
• DSSTox Substance ID: DTXSID7022831
• Nikkaji Number: J11.081G
• Wikipedia: Clebopride
• Wikidata: Q5131021
• NCI Thesaurus Code: C83627
• Pharos Ligand ID: 9CA78YSGSG9N
• Metabolomics Workbench ID: 154312
• ChEMBL ID: CHEMBL325109
• Mol file: 55905-53-8.mol

Synonyms:clebopride;clebopride fumarate (1:1);clebopride maleate;clebopride maleate (1:1);clebopride mono-hydrochloride;cleboril;N-1-benzyl-4 piperidil-3-methoxy-4-amino-5-chlorobenzamide

Chemical Property of Clebopride

Chemical Property:

• Vapor Pressure: 7.8E-20mmHg at 25°C
• Melting Point: 194-195°
• Boiling Point: 514.7 °C at 760 mmHg
• Flash Point: 265.1 °C
• PSA: 67.59000
• Density: 1.27 g/cm³
• LogP: 4.23520
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 373.1557047
• Heavy Atom Count: 26
• Complexity: 450

Purity/Quality:

99% ^*data from raw suppliers

Clebopride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)N
• Recent EU Clinical Trials: A Randomized, Double Blind, Placebo Controlled, Crossover Trial of Clebopride vs Placebo in the Treatment of Clinically Suspected Rumination.
• Uses: Anti-emetic.

Technology Process of Clebopride

There total 1 articles about Clebopride 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:

→ clebopride (55905-53-8)

Guidance literature:

Amid (26), NaOH;

Reference yield: 78.0%

succinic acid anhydride (108-30-5) + clebopride (55905-53-8) → N-succinylclebopride hemihydrate (90965-87-0)

Guidance literature:

With acetic acid; at 90 ℃; for 3.5h;

DOI:10.1248/cpb.32.1491

Reference yield:

clebopride (55905-53-8) → 2-chloro-5-methoxyaniline (2401-24-3) + 4-(4-amino-5-chloro-2-methoxy-benzoylamino)-piperidine-1-carboxylic acid (57645-49-5) + 4-Amino-5-chloro-2-methoxy-N-(2-oxo-piperidin-4-yl)-benzamide (71084-64-5) + 4-Amino-5-chloro-N-[1-(hydroxy-phenyl-methyl)-piperidin-4-yl]-2-methoxy-benzamide (73942-11-7)

Guidance literature:

With hydrogenchloride; In water; at 105 ℃; for 16h; Product distribution; mass fragmentographic determination of the metabolites;

DOI:10.1248/cpb.29.1478

Downstream raw materials:

N-succinylclebopride hemihydrate

2-chloro-5-methoxyaniline

4-(4-amino-5-chloro-2-methoxy-benzoylamino)-piperidine-1-carboxylic acid

4-Amino-5-chloro-2-methoxy-N-(2-oxo-piperidin-4-yl)-benzamide