Benfluorex hydrochlorideProduct ingredient for Benfluorex

Show full entry for Benfluorex
Name
Benfluorex hydrochloride
Drug Entry
Benfluorex

Benfluorex is an anorectic and hypolipidemic agent that is structurally related to fenfluramine. It was patented and manufactured by a French pharmaceutical company Servier. The European Medicines Agency (EMA) recommended withdrawing all benfluorex containing medicines on 18 December 2009. This recommendation was based on the risks (especially fenfluramine-like cardiovascular side-effects) outweighing the benefits.

See full entry for Benfluorex
Accession Number
DBSALT001094
Structure
Similar Structures
Synonyms
Benfluorex HCl
UNII
X7O165XZ00
CAS Number
23642-66-2
Weight
Average: 387.83
Monoisotopic: 387.1212911
Chemical Formula
C19H21ClF3NO2
InChI Key
NLOALSPYZIIXEO-UHFFFAOYSA-N
InChI
InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H
IUPAC Name
2-({1-[3-(trifluoromethyl)phenyl]propan-2-yl}amino)ethyl benzoate hydrochloride
SMILES
Cl.CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C1=CC=CC=C1
ChemSpider
171385
ChEMBL
CHEMBL1412305
Predicted Properties
PropertyValueSource
Water Solubility0.00128 mg/mLALOGPS
logP4.26ALOGPS
logP4.92Chemaxon
logS-5.4ALOGPS
pKa (Strongest Basic)9.14Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area38.33 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity90.57 m3·mol-1Chemaxon
Polarizability34.83 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon