xemilofiban (CHEBI:748349)

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CHEBI:748349 - xemilofiban

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ChEBI ID	CHEBI:748349
ChEBI Name	xemilofiban
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C18H22N4O4
Net Charge	0
Average Mass	358.398
Monoisotopic Mass	358.16411
SMILES	C#C[C@H](CC(=O)OCC)NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1
InChI	InChI=1S/C18H22N4O4/c1-3-13(11-17(25)26-4-2)21-15(23)9-10-16(24)22-14-7-5-12(6-8-14)18(19)20/h1,5-8,13H,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,24)/t13-/m1/s1
InChIKey	ZHCINJQZDFCSEL-CYBMUJFWSA-N

ChEBI Ontology

Outgoing Relation(s)
	xemilofiban (CHEBI:748349) has functional parent β-amino acid (CHEBI:33706)
	xemilofiban (CHEBI:748349) is a organonitrogen compound (CHEBI:35352)
	xemilofiban (CHEBI:748349) is a organooxygen compound (CHEBI:36963)

INN	Source
xemilofiban	WHO MedNet

Synonyms	Source
SC-54684	ChEMBL
SC54684	ChEMBL

Citations