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CHEBI:72299 - lomitapide mesylate

ChEBI IDCHEBI:72299
ChEBI Namelomitapide mesylate
Stars
DefinitionA methanesulfonate (mesylate) salt prepared from equimolar amounts of lomitapide and methanesulfonic acid. Used as a complement to a low-fat diet and other lipid-lowering treatments in patients with homozygous familial hypercholesterolemia.
Last Modified7 March 2013
SubmitterSteve
DownloadsMolfile
FormulaC39H37F6N3O2.CH4O3S
Net Charge0
Average Mass789.839
Monoisotopic Mass789.26711
SMILESCS(=O)(=O)O.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C39H37F6N3O2.CH4O3S/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45;1-5(2,3)4/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49);1H3,(H,2,3,4)
InChIKeyQKVKOFVWUHNEBX-UHFFFAOYSA-N
Roles Classification
Biological Role:
MTP inhibitor  An inhibitor that interferes with the action of MTP.
Application:
anticholesteremic drug  A substance used to lower plasma cholesterol levels.
ChEBI Ontology
Outgoing Relation(s)
lomitapide mesylate (CHEBI:72299) has part lomitapide(1+) (CHEBI:72302)
lomitapide mesylate (CHEBI:72299) has role anticholesteremic drug (CHEBI:35821)
lomitapide mesylate (CHEBI:72299) has role MTP inhibitor (CHEBI:72298)
lomitapide mesylate (CHEBI:72299) is a methanesulfonate salt (CHEBI:38037)
IUPAC Names 
N-(2,2,2-trifluoroethyl)-9-{4-[4-({[4'-(trifluoromethyl)biphenyl-2-yl]carbonyl}amino)piperidin-1-yl]butyl}-9H-fluorene-9-carboxamide methanesulfonate
1-(4-{9-[(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-9-yl}butyl)-4-({[4'-(trifluoromethyl)biphenyl-2-yl]carbonyl}amino)piperidinium methanesulfonate
Synonyms  Source
BMS-201038ChemIDplus
BMS-201038-04ChemIDplus
AEGR-733ChemIDplus
Brand Names  Source
lomitapide methanesulfonateChEBI
JuxtapidChemIDplus
lomitapide monomesylateChEBI
Manual XrefsDatabases
D09638KEGG DRUG
WO2005087234Patent
WO2007047722Patent
Registry NumbersSources
Reaxys:14506420Reaxys
CAS:202914-84-9KEGG DRUG
CAS:202914-84-9ChemIDplus
Citations