Irinotecan

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Properties Simple | Detailed

Formula C33H38N4O6
IUPAC Name irinotecan
Molecular Mass 586.678 g·mol−1
Heat of Formation -812.7 ± 16.7 kJ·mol−1
Dipole Moment 11.75 ± 1.08 D
Volume 684.01 Å 3
Surface Area 569.0 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-irinotecan
  • (1,4'-bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12-14-tetrahydro-4-hydroxy-3,14-dioxo-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, (s)-
  • (4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate
  • (4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-4,12-dihydro-1h-pyrano[3,4-f]quinolino[2,3-a]indolizin-9-yl 4-piperidylpiperidinecarboxylate
  • cp0
  • irinotecan, cpt-11
CAS Number(s)
  • 97682-44-5
InChIKey UWKQSNNFCGGAFS-XIFFEERXSA-N
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