Agroclavine

Agroclavine
Names

IUPAC name (6aR,10aR)-7,9-Dimethyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinoline
Other names 6,8-Dimethyl-8,9-didehydroergoline; 8,9-Didehydro-6,8-dimethylergoline
Identifiers
CAS Registry Number	548-42-5^N
ChEBI	CHEBI:2519^N
ChEMBL	ChEMBL449081^Y
ChemSpider	66176^Y
InChI 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
Jmol-3D images	Image
PubChem	73484
SMILES c2c3c1c(cccc1n2)[C@H]4\C=C(/CN([C@@H]4C3)C)C
Properties
Molecular formula	C₁₆H₁₈N₂
Molar mass	238.33 g·mol⁻¹
Except where noted otherwise, data is given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
N verify (what is: Y/N?)
Infobox references

Agroclavine belongs to the group of ergot alkaloids, such as ergotamine.^[1] Historically, the main use of argoclavine was to oxidize it to elymoclavine, which can then be used for ergot-based drug synthesis.

References

↑ 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.