Benfluorex

Base Information

• Chemical Name: Benfluorex
• CAS No.: 23602-78-0
• Molecular Formula: C₁₉H₂₀F₃NO₂
• Molecular Weight: 351.369
• Hs Code.: 2922199090
• European Community (EC) Number: 245-777-9
• UNII: 403FO0NQG3
• DSSTox Substance ID: DTXSID5048471
• Nikkaji Number: J20.616D
• Wikipedia: Benfluorex
• Wikidata: Q421695
• NCI Thesaurus Code: C72936
• Metabolomics Workbench ID: 152094
• ChEMBL ID: CHEMBL400599
• Mol file: 23602-78-0.mol

Synonyms:1-(2-trifluoromethylphenyl)-2-(benzoyloxyethyl)aminopropane HCl;780 SE;benfluorex;benfluorex hydrochloride;benfluorex hydrochloride, (+-)-isomer;benfluorex maleate;benfluorex, methanesulfonate salt;benfluramate;JP 992;S 780;SE 780

Chemical Property of Benfluorex

Chemical Property:

• Vapor Pressure: 2.81E-07mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 420.5 °C at 760 mmHg
• PKA: 8.23±0.10(Predicted)
• Flash Point: 208.1 °C
• PSA: 38.33000
• Density: 1.183 g/cm³
• LogP: 5.27590
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 351.14461337
• Heavy Atom Count: 25
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

Benfluorex ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2
• Recent ClinicalTrials: Impact of Benfluorex Versus Metformin on Glucose Control and Insulin Secretion in Chinese Type 2 Diabetic Patients
• Recent EU Clinical Trials: A one-year multicentre, international, randomised, double-blind study with comparison of benfluorex (150 mg od to 150 mg tid) versus pioglitazone (30 mg od to 45 mg od) in combination with sulfonylurea administered orally for the treatment of type 2 diabetes.
• Uses: antihyperlipoproteinemic
• Therapeutic Function: Antihyperlipidemic, Cardiovascular

Technology Process of Benfluorex

There total 3 articles about Benfluorex 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:

norfenfluramine (1886-26-6) → benfluorex (23602-78-0,620963-45-3,620963-46-4)

Guidance literature:

Reference yield:

N-<2-<1-methyl-2-(3-trifluoromethyl)phenyl>ethyl>aminoethanol (31173-14-5,22478-18-8,22478-20-2) + benzoyl chloride (98-88-4) → benfluorex (23602-78-0,620963-45-3,620963-46-4)

Guidance literature:

Reference yield:

→ benfluorex (23602-78-0,620963-45-3,620963-46-4)

Guidance literature:

upstream raw materials:

N-<2-<1-methyl-2-(3-trifluoromethyl)phenyl>ethyl>aminoethanol

benzoyl chloride

norfenfluramine

Refernces

• 1、 -. "Treatment of carbohydrate metabolism disorders". . . Retrieved 2008/06/13.