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

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Properties Simple | Detailed

Formula C22H20FIN6O3
IUPAC Name n-[2-[3-(4-fluorobenzoyl)penta-1,4-diynylamino]ethynyl]-2-(2-iodo-1-isocyanato-ethyl)but-3-ynamide; triazane
Molecular Mass 560.336 g·mol−1
Heat of Formation -102.3 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 531.61 Å 3
Surface Area 451.34 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 125i-azidoiodoketanserin
  • 2,4(1h,3h)-quinazolinedione, 7-azido-3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-8-(iodo-125i)-
  • 7-azido-8-iodoketanserin
  • azidoiodoketanserin
  • azik cpd
CAS Number(s)
  • 136769-36-3
InChIKey OALSEJAYBSRMHM-XXFZXMJFSA-N
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