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Chemical structure of Lomitapide mesylate

GC36478

Lomitapide mesylate

Also known as methanesulfonic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide

Lomitapide mesylate(AEGR-733; BMS-201038) is an inhibitor of microsomal triglyceride-transfer protein (MTP) wtih in vitro IC50 of 8 nM

ChemicalCAS202914-84-9MW789.83FormulaC40H41F6N3O5S
CAS number
202914-84-9
Molecular weight
789.83
Formula
C40H41F6N3O5S
Solubility
DMSO : ≥ 100 mg/mL (144·15 mM)
InChIKey
QKVKOFVWUHNEBX-UHFFFAOYSA-N
Catalogue number
GC36478
Brand
GLPBIO
Computed properties PubChem CID 11274333 · TPSA 124 Ų · H-bond donors 3 · H-bond acceptors 12
TPSA
124 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
55

SMILES CS(=O)(=O)O.C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F

Computed descriptors from PubChem (CID 11274333), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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