(4S)-4-Ethyl-4-Hydroxy-9-Methoxy-1H-Pyrano[3',4':6,7]Indolizino[1,2-B]Quinoline-3,14(4H,12H)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H18N2O5
IUPAC Name (19s)-19-ethyl-19-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Molecular Mass 378.378 g·mol−1
Heat of Formation -525.8 ± 16.7 kJ·mol−1
Dipole Moment 9.16 ± 1.08 D
Volume 415.3 Å 3
Surface Area 366.84 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 10-methoxycamptothecin
  • 1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 4-ethyl-4-hydroxy-9-methoxy-, (s)- (9ci)
  • 1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione, 4-ethyl-4-hydroxy-9-methoxy-, (s)-
  • camptothecin, 10-methoxy-
  • camptothecine, 10-methoxy- (8ci)
  • methoxycamptothecin
CAS Number(s)
  • 19685-10-0
InChIKey KLFJSYOEEYWQMR-NRFANRHFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N