Cabergoline

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Properties Simple | Detailed

Formula C26H37N5O2
IUPAC Name [[(6ar,7r,9r,10ar)-7-allyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-11-ide-9-carbonyl]-[3-(dimethylamino)propyl]carbamoyl]azanide; ethylene
Molecular Mass 451.604 g·mol−1
Heat of Formation -213.2 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 588.03 Å 3
Surface Area 446.09 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 3.18 ± eV
Point Group Symmetry C1
Synonyms
  • (8beta)-n-[3-(dimethylamino)propyl]-n-[(ethylamino)carbonyl]-6-prop-2-en-1-ylergoline-8-carboxamide
  • 1-((6-allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea
  • cabaser
  • cabaseril
  • cabergolina [spanish]
  • cabergoline (jan/usan/inn)
  • cabergolinum [latin]
  • cg-101
  • d00987
  • dostinex
  • ergoline-8-carboxamide, n-(3-(dimethylamino)propyl)-n-((ethylamino)carbonyl)-6-(2-propenyl)-, (8-beta)-
  • fce-21336
  • sogilen
CAS Number(s)
  • 81409-90-7
InChIKey KORNTPPJEAJQIU-KJXAQDMKSA-N
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