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lomitapide mesylate

lomitapide mesylate

CAS: 202914-84-9

Formula: C40H41F6N3O5S

SMILES: CS(O)(=O)=O.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=CC=CC=C12

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

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,

Composition: C (60.83%), H (5.23%), F (14.43%), N (5.32%), O (10.13%), S (4.06%)

Molar Mass: 789.83

Atom Count: 96

Heavy Atom Count: 55

Properties
Properties
Common Names lomitapide mesylate
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 789.267111584
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QKVKOFVWUHNEBX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 181.73
Topological Polar Surface Area 61.44
Polarizability 69.88
Ring Count 6
Rotatable Bond Count 12

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 202914-84-9 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 202914-84-9 $38.22-$621.46$38.22$49.69$75.68$113.90$191.86$344.74$621.46
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