2-Bromo-N-{[(4S)-4-Ethyl-4-Hydroxy-3,14-Dioxo-3,4,12,14-Tetrahydro-1H-Pyrano[3',4':6,7]Indolizino[1,2-B]Quinolin-9-Yl]Methyl}Acetamide

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Properties Simple | Detailed

Formula C23H21BrN3O5
IUPAC Name 2-bromo-n-{[(4s)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]methyl}acetamide
Molecular Mass 499.334 g·mol−1
Heat of Formation -561.0 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 502.44 Å 3
Surface Area 433.62 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 10-bromoacetamidomethylcamptothecin
  • acetamide, 2-bromo-n-((4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl)methyl)-, (s)-
  • brcpt
CAS Number(s)
  • 131206-45-6
InChIKey XLVWWPMMOJIPKB-QHCPKHFHSA-N
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DOI
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