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 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:2519 N
ChEMBL	ChEMBL449081 Y
ChemSpider	66176 Y
ECHA InfoCard	100.008.135
PubChem CID	73484
UNII	A8SW57GO7T Y
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 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
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). N verify (what is YN ?) 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]