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Lomitapide

CAT: 0127-BUP15379-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15379-03Size:25 mg
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CAS Number
182431-12-5
Synonyms
AEGR-733, BMS-201038
Purity
=98%
Smiles
FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12

Chemical Information

Lomitapide

Lomitapide is a member of the class of benzamides obtained by formal condensation of the carboxy group of 4'-(trifluoromethyl)biphenyl-2-carboxylic acid with the primary amino group of 9-[4-(4-aminopiperidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide. Used (as its mesylate salt) as a complement to a low-fat diet and other lipid-lowering treatments in patients with homozygous familial hypercholesterolemia. It has a role as an anticholesteremic drug and a MTP inhibitor. It is a member of benzamides, a member of fluorenes, a member of piperidines and a member of (trifluoromethyl)benzenes. It is a conjugate base of a lomitapide(1+).

CAS Number182431-12-5
PubChem CID9853053
IUPAC NameN-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide
Molecular FormulaC39H37F6N3O2
Molecular Weight693.7
XLogP8.6
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count50
Formal Charge0
Complexity1110
SMILES
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
InChI
InChI=1S/C39H37F6N3O2/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/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
InChIKey
MBBCVAKAJPKAKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lomitapide
CAS: 182431-12-5
CID: 9853053
Formula: C39H37F6N3O2
MW: 693.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight693.7
XLogP38.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass693.27899640
Monoisotopic Mass693.27899640
Topological Polar Surface Area61.4 Ų
Heavy Atom Count50
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B4885-100Lomitapide

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