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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | sitagliptin | |
| Synonyms |
sitagliptin (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE sitagliptinum sitagliptina sitagliptine MK-0431 (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one |
|
| Definitions |
A triazolopyrazine that exhibits hypoglycemic activity. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_40237 |
|
| alternative term |
sitagliptin (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE sitagliptinum sitagliptina sitagliptine MK-0431 (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
|
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_68612 http://purl.obolibrary.org/obo/CHEBI_35526 http://purl.obolibrary.org/obo/CHEBI_35703 |
|
| charge |
0
|
|
| database_cross_reference |
Wikipedia:Sitagliptin Reaxys:9962060 Drug_Central:2448 PMID:23286208 PDBeChem:715 Beilstein:9962060 KEGG:D08516 PMID:24041927 PMID:24039399 PMID:23331339 LINCS:LSM-5363 DrugBank:DB01261 HMDB:HMDB0015390 PMID:23927568 CAS:486460-32-6 PMID:23489256 PMID:23432786
|
|
| formula |
C16H15F6N5O
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_68612 http://purl.obolibrary.org/obo/CHEBI_35526 http://purl.obolibrary.org/obo/CHEBI_35703 |
|
| has_exact_synonym |
(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
sitagliptin (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE sitagliptinum sitagliptina sitagliptine MK-0431
|
|
| has_RxCUI |
593411
|
|
| id |
CHEBI:40237
|
|
| in_subset | ||
| inchi |
InChI=1S/C16H15F6N5O/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/t9-/m1/s1
|
|
| inchikey |
MFFMDFFZMYYVKS-SECBINFHSA-N
|
|
| label |
sitagliptin
|
|
| mass |
407.31382
|
|
| monoisotopicmass |
407.11808
|
|
| notation |
CHEBI:40237
|
|
| prefixIRI |
CHEBI:40237
|
|
| prefLabel |
sitagliptin
|
|
| smiles |
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
|
|
| textual definition |
A triazolopyrazine that exhibits hypoglycemic activity.
|
|
| subClassOf |
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