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CHEBI:759736 - sitagliptin fumarate

Default Structure
ChEBI IDCHEBI:759736
ChEBI Namesitagliptin fumarate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H4O4.C16H15F6N5O
Net Charge0
Average Mass523.390
Monoisotopic Mass523.12904
SMILESN[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C16H15F6N5O.C4H4O4/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;5-3(6)1-2-4(7)8/h4,6,9H,1-3,5,7,23H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t9-;/m1./s1
InChIKeyYRKLLQIZVVYDQY-YLGLLLDBSA-N
Roles Classification
Application:
hypoglycemic agent  A drug which lowers the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
sitagliptin fumarate (CHEBI:759736) has functional parent β-amino acid (CHEBI:33706)
sitagliptin fumarate (CHEBI:759736) has role hypoglycemic agent (CHEBI:35526)
sitagliptin fumarate (CHEBI:759736) is a organonitrogen compound (CHEBI:35352)
sitagliptin fumarate (CHEBI:759736) is a organooxygen compound (CHEBI:36963)
Synonym  Source
Sitagliptin fumarateChEMBL
Brand Name  Source
Sitagliptin sunChEMBL