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lomitapide

lomitapide

CAS: 182431-12-5

Formula: C39H37F6N3O2

SMILES: FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: N-(2,2,2-trifluoroethyl)-9-(4-{4-[4'-(trifluoromethyl)-[1,1'-biphenyl]-2-amido]piperidin-1-yl}butyl)-9H-fluorene-9-carboxamide

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)

Composition: C (67.52%), H (5.38%), F (16.43%), N (6.06%), O (4.61%)

Molar Mass: 693.734

Atom Count: 87

Heavy Atom Count: 50

Properties
Properties
Common Names lomitapide
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 693.278996421
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MBBCVAKAJPKAKM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 181.73
Topological Polar Surface Area 61.44
Polarizability 69.87
Ring Count 6
Rotatable Bond Count 12

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 182431-12-5 $35.19-$2,179.71$35.19$54.86$71.42$153.18$456.44$2,179.71
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