2-Bromo-N-{[(4S)-4-Ethyl-4-Hydroxy-11-Methyl-3,14-Dioxo-3,4,12,14-Tetrahydro-1H-Pyrano[3',4':6,7]Indolizino[1,2-B]Quinolin-9-Yl]Methyl}Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H22BrN3O5
IUPAC Name 2-bromo-n-[[(19s)-19-ethyl-19-hydroxy-10-methyl-14,18-dioxo-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)-heptaen-7-yl]methyl]acetamide
Molecular Mass 512.353 g·mol−1
Heat of Formation -606.0 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 523.85 Å 3
Surface Area 445.19 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methyl-10-bromoacetamidomethylcamptothecin
  • brcptme
CAS Number(s)
  • 131206-46-7
InChIKey BWPHBAPTSMFHFB-DEOSSOPVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br O N