Agroclavine

Agroclavine belongs to the group of ergot alkaloids, which also includes ergotamine.[1] Historically, the main use of agroclavine was in the synthesis of ergot-based drugs; agroclavine can be oxidized to elymoclavine, which then undergoes further processing.[2]

Agroclavine
Names
IUPAC name
6,8-Dimethyl-8,9-didehydroergoline
Systematic IUPAC name
(6aR,10aR)-7,9-Dimethyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinoline
Other names
8,9-Didehydro-6,8-dimethylergoline
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.008.135
UNII
  • InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1 Y
    Key: XJOOMMHNYOJWCZ-UKRRQHHQSA-N Y
  • InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1
  • c2c3c1c(cccc1[nH]2)[C@H]4\C=C(/CN([C@@H]4C3)C)C
Properties
C16H18N2
Molar mass 238.334 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

References
  1. Bhattacharji, S., Birch, A. J., Brack, A., Hofmann, A., Kobel, H., Smith, D. C. C., Smith, Herchel, Winter J. (1962). "Biosynthesis. XXVII. The biosynthesis of ergot alkaloids". Journal of the Chemical Society: 421–425. doi:10.1039/jr9620000421.
  2. Cordell GA (2002). The Alkaloids: Chemistry and Biology. Gulf Professional Publishing. pp. 6–. ISBN 978-0-12-469558-0.
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