Mebeverine

Base Information

• Chemical Name: Mebeverine
• CAS No.: 3625-06-7
• Molecular Formula: C25H35NO5
• Molecular Weight: 429.557
• Hs Code.: 2922509090
• European Community (EC) Number: 222-830-4
• UNII: 7F80CC3NNV
• DSSTox Substance ID: DTXSID6023238
• Nikkaji Number: J8.191D
• Wikipedia: Mebeverine
• Wikidata: Q418167
• NCI Thesaurus Code: C83909
• Metabolomics Workbench ID: 71468
• ChEMBL ID: CHEMBL282121
• Mol file: 3625-06-7.mol

Synonyms:4-(ethyl-(4-methoxy-alpha-methylphenethyl)aminobutyl) veratrate;duspatalin;mebeverine;mebeverine hydrochloride;spasmotalin

Chemical Property of Mebeverine

Chemical Property:

• Vapor Pressure: 6.92E-12mmHg at 25°C
• Melting Point: 129-131 °C
• Refractive Index: 1.529
• Boiling Point: 543.8 °C at 760 mmHg
• PKA: 9.51±0.50(Predicted)
• Flash Point: 282.7 °C
• PSA: 57.23000
• Density: 1.074 g/cm³
• LogP: 4.60250
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 429.25152322
• Heavy Atom Count: 31
• Complexity: 494

Purity/Quality:

99%, ^*data from raw suppliers

MEBEVERINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC
• Recent ClinicalTrials: To Compare the Efficacy of Drugs in Combination for Treating Irritable Bowel Syndrome Associated With Diarrhea
• Recent EU Clinical Trials: Multicentre, Randomised, Placebo-Controlled Trial of Mebeverine in Children with Irritable Bowel Syndrome (IBS) or Functional Abdominal Pain - not otherwise specified (FAP-NOS)
• Uses: Relaxant (smooth muscle).
• Therapeutic Function: Spasmolytic

Technology Process of Mebeverine

There total 1 articles about Mebeverine 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:

→ mebeverine (3625-06-7)

Guidance literature:

N-Ethyl-N-<4-hydroxy-butyl>-1-<4-methoxy-phenyl>-prop-2-yl-amin, 3.4-Dimethoxy-benzoylchlorid, Bzl.;

Reference yield:

mebeverine (3625-06-7) → Veratric acid (93-07-2)

Guidance literature:

mebeverine; With sodium hydroxide; In methanol; at 45 ℃; for 12h;

With hydrogenchloride; water;

DOI:10.1007/s10895-010-0679-0

Reference yield:

mebeverine (3625-06-7) → 4-(ethyl [2-(4-methoxyphenyl)-1-methylethyl]amino)butan-1-ol (14367-47-6,14664-74-5)

Guidance literature:

With sodium hydroxide; In methanol; at 45 ℃; for 12h;

DOI:10.1007/s10895-010-0679-0

Downstream raw materials:

4-(ethyl [2-(4-methoxyphenyl)-1-methylethyl]amino)butan-1-ol

Veratric acid