Torcetrapib

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Properties Simple | Detailed

Formula C18H29F9N2O4
IUPAC Name (2r,4s)-4-[carboxylato(isobutyl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylate hexafluoride
Molecular Mass 508.419 g·mol−1
Heat of Formation -2630.1 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 631.17 Å 3
Surface Area 453.76 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-4-((3,5-bis-trifluoromethylbenzyl)methoxycarbonylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2h-quinoline-1-carboxylic acid ethyl ester
  • (2r,4s)-4-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylic acid ethyl ester
  • (2r,4s)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylic acid ethyl ester
  • 1(2h)-quinolinecarboxylic acid, 4-(((3,5-bis(trifluoromethyl)phenyl)methyl) (methoxycarbonyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, ethyl ester, (2r,4s)-
  • cp-529,414
  • d06195
  • ethyl (2r,4s)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2h-quinoline-1-carboxylate
CAS Number(s)
  • 262352-17-0
InChIKey CMSGWTNRGKRWGS-NQIIRXRSSA-N
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