Trimebutine

Base Information

• Chemical Name: Trimebutine
• CAS No.: 39133-31-8
• Molecular Formula: C₂₂H₂₉NO₅
• Molecular Weight: 387.476
• Hs Code.: 2922199090
• European Community (EC) Number: 261-548-6,254-309-2
• UNII: QZ1OJ92E5R,9RKX7S7WFY,U4UUZ24TRB
• DSSTox Substance ID: DTXSID4023707
• Nikkaji Number: J15.812G,J304.096H,J304.097F
• Wikipedia: Trimebutine
• Wikidata: Q2569888
• NCI Thesaurus Code: C80588
• Metabolomics Workbench ID: 152143
• ChEMBL ID: CHEMBL190044
• Mol file: 39133-31-8.mol

Synonyms:Debridat;Maleate Salt, Trimebutine;Maleate, Trimebutine;Modulon;Polibutin;Salt, Trimebutine Maleate;TM 906;TM-906;TM906;Transacalm;Trimebutine;Trimebutine Maleate;Trimebutine Maleate Salt

Chemical Property of Trimebutine

Chemical Property:

• Melting Point: 79oC
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 457.9 °C at 760 mmHg
• PKA: 7.29±0.50(Predicted)
• Flash Point: 230.8 °C
• PSA: 57.23000
• Density: 1.104 g/cm³
• LogP: 3.73630
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Very Slightly)
• Water Solubility.: 10g/L
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 387.20457303
• Heavy Atom Count: 28
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Trimebutine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C
• Recent ClinicalTrials: Trimebutine on the Development of Adverse Events Related to the Helicobacter Pylori Eradication Medications
• Recent EU Clinical Trials: A multicenter, double-blind, randomized, placebo controlled phase III study of the efficacy and safety of Trimebutine 300 mg twice daily for the relief of functional dyspeptic patients
• Recent NIPH Clinical Trials: Phase II study of Trimebutine maleate and probiotics for Abemaciclib-induced diarrhea in patients with HR-positive and HER2-negative advanced breast cancer
• Uses: Trimebutine is an agonist of peripheral mu, kappa and delta opiate receptors, used as spasmolytic agent for treatment of both acute and chronic abdominal pain. Trimebutine is an opioid receptor agonist and an antispasmodic agent (1,2). It is used to treat acute and chronic abdominal pain.

Technology Process of Trimebutine

There total 3 articles about Trimebutine 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:

magnesium stearate (557-04-0) → trimebutine (39133-31-8,58997-89-0,58997-90-3)

Guidance literature:

Reference yield:

2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate hydrochloride → trimebutine (39133-31-8,58997-89-0,58997-90-3)

Guidance literature:

With sodium hydroxide; In water; Inert atmosphere;

DOI:10.1021/jacs.0c08599

Reference yield:

→ trimebutine (39133-31-8,58997-89-0,58997-90-3)

Guidance literature:

3,4,5-Trimethoxybenzoesaeuremethylester , 2-Phenyl-2-dimethylamino-n-butanol , NaOCH3;

upstream raw materials:

magnesium stearate

Downstream raw materials:

(3,4,5-trimethoxyphenyl)methanol

2-phenyl-2-dimethylamino-1-butanol

trimebutine methanesulfonic acid salt

trimebutine 4-thiocarbamoylbenzenesulfonate

Refernces

• 1、 -. "Pharmaceutical combination of otilonium and trimebutine". . . Retrieved 2012/08/08.