(3S,5S,6E)-7-[3-(4-Fluorophenyl)-1-Isopropyl-1H-Indol-2-Yl]-3,5-Dihydroxy-6-Heptenoic Acid

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Properties Simple | Detailed

Formula C24H26FNO4
IUPAC Name (e,3s,5s)-7-[3-(4-fluorophenyl)-1-isopropyl-indol-1-ium-2-ylium-2-yl]-3,5-dihydroxy-hept-6-enoic acid
Molecular Mass 411.466 g·mol−1
Heat of Formation -779.6 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 501.15 Å 3
Surface Area 391.07 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s)-fluvastatin
  • (3s,5s,6e)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
  • (3s,5s,6e)-7-[3-(4-fluorophenyl)-1-isopropyl-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
  • (e,3s,5s)-7-[3-(4-fluorophenyl)-1-isopropyl-2-indolyl]-3,5-dihydroxyhept-6-enoic acid
  • (e,3s,5s)-7-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid
  • (e,3s,5s)-7-[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid
  • (e,3s,5s)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
  • fluvastatin
CAS Number(s)
  • 93957-54-1
InChIKey FJLGEFLZQAZZCD-VVZAMHAXSA-N
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