Agroclavine

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
CAS Number	548-42-5 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:2519 ;
ChEMBL	ChEMBL449081 ;
ChemSpider	66176 ;
ECHA InfoCard	100.008.135
PubChem CID	73484;
UNII	A8SW57GO7T ;
CompTox Dashboard (EPA)	DTXSID10970144 ;
	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 Key: XJOOMMHNYOJWCZ-UKRRQHHQSA-N ; 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;
	SMILES c2c3c1c(cccc1[nH]2)[C@H]4\C=C(/CN([C@@H]4C3)C)C;
Properties
Chemical formula	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). verify (what is ?) Infobox references

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]

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. doi:10.1039/jr9620000421.
^ Cordell GA (2002). The Alkaloids: Chemistry and Biology. Gulf Professional Publishing. pp. 6–. ISBN 978-0-12-469558-0.

[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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