(5α,8Beta)-8-{[(2R,5R,10Ar,10Bs)-5-Benzyl-10B-Hydroxy-2-Isopropyl-3,6-Dioxooctahydro-8H-[1,3]Oxazolo[3,2-A]Pyrrolo[2,1-C]Pyrazin-2-Yl]Carbamoyl}-6-Methylergolin-6-Ium

Molecule SVG Image

Properties Simple | Detailed

Formula C35H22N5O5
IUPAC Name (5alpha,8beta)-8-{[(2r,5r,10ar,10bs)-5-benzyl-10b-hydroxy-2-isopropyl-3,6-dioxooctahydro-8h-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]carbamoyl}-6-methylergolin-6-ium
Molecular Mass 592.580 g·mol−1
Heat of Formation 4468.7 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 643.89 Å 3
Surface Area 450.69 Å 2
Point Group Symmetry C1
Synonyms
  • 0
  • 3
  • 4
  • 7
  • 9
  • c
  • i
  • n
  • z
InChIKey DEQITUUQPICUMR-KTWGCUQZSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O N