simpinicline citrate (CHEBI:757867)

CHEBI:757867 - simpinicline citrate

Formula	C6H8O7.C10H13N3
Net Charge	0
Average Mass	367.358
Monoisotopic Mass	367.13795
SMILES	C(=C/[C@H]1CCNC1)\c1cncnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI	InChI=1S/C10H13N3.C6H8O7/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,6-9,11H,3-5H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b2-1+;/t9-;/m0./s1
InChIKey	HVGZXVVUVQKTSC-OUCPDFHMSA-N

ChEBI Ontology

Outgoing Relation(s)
	simpinicline citrate (CHEBI:757867) has role ophthalmology drug (CHEBI:66981)
	simpinicline citrate (CHEBI:757867) is a carbonyl compound (CHEBI:36586)
	simpinicline citrate (CHEBI:757867) is a organic molecular entity (CHEBI:50860)