lergotrile mesylate (CHEBI:752481)

We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.

CHEBI:752481 - lergotrile mesylate

Formula	CH4O3S.C17H18ClN3
Net Charge	0
Average Mass	395.912
Monoisotopic Mass	395.10704
SMILES	CS(=O)(=O)O.[H][C@@]12Cc3c(Cl)nc4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C
InChI	InChI=1S/C17H18ClN3.CH4O3S/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;1-5(2,3)4/h2-4,10,12,15,20H,5,7-9H2,1H3;1H3,(H,2,3,4)/t10-,12-,15-;/m1./s1
InChIKey	WXHDJVDIJQDJMK-AYJWUPBJSA-N

ChEBI Ontology

Outgoing Relation(s)
	lergotrile mesylate (CHEBI:752481) is a organic heterotetracyclic compound (CHEBI:38163)