7-Amino-3-{2-[4-(4-Fluorobenzoyl)-1-Piperidinyl]Ethyl}-8-(~125~I)Iodo-2,4(1H,3H)-Quinazolinedione

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Formula C22H22FIN4O3
IUPAC Name 7-amino-3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-8-(125i)iodanyl-1h-quinazoline-2,4-dione
Molecular Mass 534.338 g·mol−1
Heat of Formation -447.0 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 508.27 Å 3
Surface Area 434.58 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-quinazolinedione, 7-amino-3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-8-(iodo-125i)-
  • 7-amino-8-(125i)-ketanserin
  • 7-amino-8-iodoketanserin
CAS Number(s)
  • 105554-25-4
InChIKey GRIQEEZFSFFWGV-XXFZXMJFSA-N
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