LOMITAPIDE MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII X4S83CP54E
EPA CompTox DTXSID60174170
Parent Compound: LOMITAPIDE

Structure

InChI Key QKVKOFVWUHNEBX-UHFFFAOYSA-N
Smiles CS(=O)(=O)O.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChI
InChI=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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H41F6N3O5S
Molecular Weight 789.84
AlogP 8.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 61.44
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 50.0

Pharmacology

Mechanism of Action Action Reference
Microsomal triglyceride transfer protein inhibitor INHIBITOR DailyMed

Cross References

Resources Reference
ChEBI 72299
ChEMBL CHEMBL2105662
FDA SRS X4S83CP54E
KEGG D09637
PubChem 11274333
SureChEMBL SCHEMBL2731380
ZINC ZINC27990463
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