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CHEBI:760248 - sitagliptin hydrochloride monohydrate

Default Structure
ChEBI IDCHEBI:760248
ChEBI Namesitagliptin hydrochloride monohydrate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C16H15F6N5O.HCl
Net Charge0
Average Mass461.794
Monoisotopic Mass461.10532
SMILESCl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O
InChIInChI=1S/C16H15F6N5O.ClH.H2O/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;;/h4,6,9H,1-3,5,7,23H2;1H;1H2/t9-;;/m1../s1
InChIKeyYPULIQLVSSZRST-KLQYNRQASA-N
Roles Classification
Application:
hypoglycemic agent  A drug which lowers the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
sitagliptin hydrochloride monohydrate (CHEBI:760248) has functional parent β-amino acid (CHEBI:33706)
sitagliptin hydrochloride monohydrate (CHEBI:760248) has role hypoglycemic agent (CHEBI:35526)
sitagliptin hydrochloride monohydrate (CHEBI:760248) is a organonitrogen compound (CHEBI:35352)
sitagliptin hydrochloride monohydrate (CHEBI:760248) is a organooxygen compound (CHEBI:36963)
Synonym  Source
Sitagliptin hydrochloride monohydrateChEMBL
Brand Name  Source
Sitagliptin accordChEMBL