Nicergoline

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26BrN3O3
IUPAC Name [(6ar,7r,9r,10as)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6h-indolo[4,3-fg]quinoline-4-ium-9-yl]methyl 5-bromopyridine-3-carboxylate
Molecular Mass 484.386 g·mol−1
Heat of Formation -164.0 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 522.16 Å 3
Surface Area 421.89 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-10-methoxy-1,6-dimethylergoline-8-beta-methanol 5-bromonicotinate
  • 1-methyl-lumilysergol 8-(5-bromonicotinate) 10-methyl ether
  • 10-methoxy-1,6-dimethylergoline-8-methanol 5-bromo-3-pyrindinecarboxylate (ester)
  • 10-methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate
  • 10-methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate (ester)
  • 5-bromonicotinic acid 10-methoxy-1,6-dimethylergoline-8-methyl ester
  • 8-beta-((5-bromonicotinoyloxy)methyl)-1,6-dimethyl-10-alpha-methoxyergoline
  • bpbio1_000280
  • d01290
  • ergoline-8-beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromo-3-pyridinecarboxylate (ester)
  • ergoline-8-beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester)
  • ergoline-8-methanol, 10-methoxy-1,6-dimethyl-, (8beta)-, 5-bromo-3-pyridinecarboxylate (ester)
  • ergoline-8-methanol, 10-methoxy-1,6-dimethyl-, 5-bromo-3-pyridinecarboxylate (ester), (8beta)-
  • ergoline-8beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester) (8ci)
  • fi 6714
  • nicergolina [dcit]
  • nicergoline (jp15/usan)
  • nicotergoline
  • nimergoline
  • nimergoline base
  • qtl1_000060
  • rp 19651
InChIKey YSEXMKHXIOCEJA-FVFQAYNVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N