avitriptan fumarate (CHEBI:751665)

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CHEBI:751665 - avitriptan fumarate

Formula	C4H4O4.C22H30N6O3S
Net Charge	0
Average Mass	574.660
Monoisotopic Mass	574.22097
SMILES	CNS(=O)(=O)Cc1ccc2ncc(CCCN3CCN(c4ncncc4OC)CC3)c2c1.O=C(O)/C=C/C(=O)O
InChI	InChI=1S/C22H30N6O3S.C4H4O4/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22;5-3(6)1-2-4(7)8/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	FMXXORRZIQGUIN-WLHGVMLRSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	avitriptan fumarate (CHEBI:751665) is a N-arylpiperazine (CHEBI:46848)