7-Amino-3-[2-(4-{[4-Fluoro(2-~3~H)Phenyl]Carbonyl}-1-Piperidinyl)Ethyl]-2,4(1H,3H)-Quinazolinedione

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Properties Simple | Detailed

Formula C22H22FN4O3T
IUPAC Name 7-amino-3-[2-[4-(4-fluoro-2-tritio-benzoyl)-1-piperidyl]ethyl]-1h-quinazoline-2,4-dione
Molecular Mass 412.450 g·mol−1
Heat of Formation -532.6 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 469.78 Å 3
Surface Area 408.56 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 7-amino-3-(2-(4-(2-tritio-4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4-(1h,3h)quinazolinedione
  • 7-amino-3-[2-[4-(4-fluoro-2-tritio-benzoyl)-1-piperidyl]ethyl]-1h-quinazoline-2,4-dione
  • 7-amino-3-[2-[4-(4-fluoro-2-tritio-benzoyl)-1-piperidyl]ethyl]-1h-quinazoline-2,4-quinone
  • 7-amino-3-[2-[4-(4-fluoro-2-tritio-phenyl)carbonylpiperidin-1-yl]ethyl]-1h-quinazoline-2,4-dione
  • 7-amino-3-[2-[4-(4-fluoro-2-tritiobenzoyl)piperidin-1-yl]ethyl]-1h-quinazoline-2,4-dione
  • 7-amino-3-[2-[4-[(4-fluoro-2-tritiophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1h-quinazoline-2,4-dione
  • 7-aminoketanserin
CAS Number(s)
  • 102745-99-3
InChIKey ILHHRZFBHHWOGY-CNRUNOGKSA-N
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