3-(2-{4-[4-(~18~F)Fluorobenzoyl]-1-Piperidinyl}Ethyl)-1-[2-(~18~F)Fluoroethyl]-2,4(1H,3H)-Quinazolinedione

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Formula C24H25F2N3O3
IUPAC Name 3-[2-[4-(4-(18f)fluoranylbenzoyl)-1-piperidyl]ethyl]-1-(2-(18f)fluoranylethyl)quinazoline-2,4-dione
Molecular Mass 439.475 g·mol−1
Heat of Formation -698.2 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 506.9 Å 3
Surface Area 427.06 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-1-(2-(fluoro-18f)ethyl)-
  • n-2-fluoroethylketanserin
CAS Number(s)
  • 136346-26-4
InChIKey CNBNAQSVBRTYNA-BREZZRBISA-N
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