Bromocriptine

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Properties Simple | Detailed

Formula C21H14BrN5O5
IUPAC Name bromocriptine
Molecular Mass 496.270 g·mol−1
Heat of Formation -736.0 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 722.01 Å 3
Surface Area 569.73 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman
  • (6ar,9r)-5-bromo-n-((2r,5s,10as,10bs)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-2h-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
  • 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotamin-3',6',18-trione
  • 2-bromo-alpha-ergocryptine
  • 2-bromo-alpha-ergokryptin
  • 2-bromo-alpha-ergokryptine
  • 22260-51-1 (mesylate)
  • biomol-nt_000005
  • bpbio1_001131
  • bromergocryptine
  • bromocriptin
  • bromocriptine (usan)
  • bromocryptine
  • bromoergocriptine
  • bromoergocryptine
  • d03165
  • ergocryptine, 2-bromo- (8ci)
  • ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'- (2-methylpropyl)-, (5'alpha)-
  • ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-
  • pdsp2_001500
CAS Number(s)
  • 25614-03-3
InChIKey OZVBMTJYIDMWIL-AYFBDAFISA-N
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DOI
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Elements H C Br O N