EMBL-EBI | Chemical Biology | ChEBI
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| Formula | H2O.C16H15F6N5O.H3O4P |
| Net Charge | 0 |
| Average Mass | 523.327 |
| Monoisotopic Mass | 523.10554 |
| SMILES | N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O |
| InChI | InChI=1S/C16H15F6N5O.H3O4P.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;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1 |
| InChIKey | GQPYTJVDPQTBQC-KLQYNRQASA-N |
| Roles Classification |
|---|
| Applications: | anticholesteremic drug A substance used to lower plasma cholesterol levels. hypoglycemic agent A drug which lowers the blood glucose level. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sitagliptin phosphate (CHEBI:749389) has functional parent β-amino acid (CHEBI:33706) |
| sitagliptin phosphate (CHEBI:749389) has role anticholesteremic drug (CHEBI:35821) |
| sitagliptin phosphate (CHEBI:749389) has role cardiovascular drug (CHEBI:35554) |
| sitagliptin phosphate (CHEBI:749389) has role hypoglycemic agent (CHEBI:35526) |
| sitagliptin phosphate (CHEBI:749389) is a organonitrogen compound (CHEBI:35352) |
| sitagliptin phosphate (CHEBI:749389) is a organooxygen compound (CHEBI:36963) |
| Synonyms | Source |
|---|---|
| Glactiv | ChEMBL |
| MK0431 | ChEMBL |
| ONO-5435 | ChEMBL |
| Sitagliptin monophosphate | ChEMBL |
| Sitagliptin monophosphate anhydrous | ChEMBL |
| Brand Names | Source |
|---|---|
| Janumet xr | ChEMBL |
| Sitagliptin phosphate component of janumet | ChEMBL |
| Sitagliptin phosphate component of juvisync | ChEMBL |
| Sitagliptin phosphate component of steglujan | ChEMBL |
| Sitagliptin phosphate component of stelujan | ChEMBL |
| Tesavel | ChEMBL |
| Citations |
|---|