Lergotrile

Lergotrile (INNTooltip International Nonproprietary Name, USANTooltip United States Adopted Name) is an ergoline derivative which acts as a dopamine receptor agonist. It was developed for the treatment of Parkinson's disease, but failed in clinical trials due to liver toxicity.^[1][2]

Lergotrile

Clinical data
Other names	LY-79907; 2-Chloro-6-methylergoline-8β-acetonitrile
Identifiers
IUPAC name 2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CAS Number	36945-03-6 Y
PubChem CID	6918447
ChemSpider	5293644
UNII	O68JXU1W09
KEGG	D04693
ChEMBL	ChEMBL80937
CompTox Dashboard (EPA)	DTXSID701043282
Chemical and physical data
Formula	C17H18ClN3
Molar mass	299.80 g·mol−1
3D model (JSmol)	Interactive image
SMILES CN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC#N
InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1 Key:JKAHWGPTNVUTNB-IXPVHAAZSA-N