Lomitapide mesylateProduct ingredient for Lomitapide
- Name
- Lomitapide mesylate
- Drug Entry
- Lomitapide
Lomitapide is a microsomal triglyceride transfer protein (MTP) inhibitor used in homozygous familial hypercholesterolemia (HoFH) patients. It is marketed under the name Juxtapid (R).
- Accession Number
- DBSALT000110
- Structure
Structure for Lomitapide mesylate (DBSALT000110)
- Synonyms
- Not Available
- UNII
- X4S83CP54E
- CAS Number
- 202914-84-9
- Weight
- Average: 789.826
Monoisotopic: 789.267111357 - Chemical Formula
- C40H41F6N3O5S
- InChI Key
- QKVKOFVWUHNEBX-UHFFFAOYSA-N
- 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)
- IUPAC Name
- 9-{4-[4-({hydroxy[4'-(trifluoromethyl)-[1,1'-biphenyl]-2-yl]methylidene}amino)piperidin-1-yl]butyl}-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboximidic acid; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.OC(=NC1CCN(CCCCC2(C(O)=NCC(F)(F)F)C3=CC=CC=C3C3=CC=CC=C23)CC1)C1=CC=CC=C1C1=CC=C(C=C1)C(F)(F)F
- External Links
- PubChem Compound
- 11274333
- ChemSpider
- 9449335
- ChEBI
- 72299
- ChEMBL
- CHEMBL2105662
- Wikipedia
- Lomitapide
- Predicted Properties
Property Value Source Water Solubility 0.000161 mg/mL ALOGPS logP 7.12 ALOGPS logP 6.79 Chemaxon logS -6.6 ALOGPS pKa (Strongest Acidic) 4.46 Chemaxon pKa (Strongest Basic) 9.58 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 68.42 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 193.39 m3·mol-1 Chemaxon Polarizability 69.9 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon