Vorapaxar

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Properties Simple | Detailed

Formula C29H34FN2O4
IUPAC Name ethyl n-[(1r,3ar,4ar,6r,8ar,9s,9as)-9-[(e)-2-[5-(3-fluorobenzene-2,4,5,6-tetraid-1-yl)pyridin-1-ium-5-id-2-yl]vinyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1h-benzo[f]isobenzofuran-6-yl]carbamate
Molecular Mass 493.590 g·mol−1
Heat of Formation -786.6 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 599.12 Å 3
Surface Area 509.57 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • ethyl n-[(3r,3as,4s,4ar,7r,8ar,9ar)-4-[(e)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3h-benzo[f]isobenzofuran-7-yl]carbamate
  • ethyl n-[(3r,3as,4s,4ar,7r,8ar,9ar)-4-[(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3h-naphtho[6,7-c]furan-7-yl]carbamate
  • n-[(3r,3as,4s,4ar,7r,8ar,9ar)-4-[(e)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-1-keto-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3h-benzo[f]isobenzofuran-7-yl]carbamic acid ethyl ester
  • n-[(3r,3as,4s,4ar,7r,8ar,9ar)-4-[(e)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3h-benzo[f]isobenzofuran-7-yl]carbamic acid ethyl ester
InChIKey ZBGXUVOIWDMMJE-QHNZEKIYSA-N
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