loading...| Preferred Name |
alogliptin |
|
| Synonyms |
2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile alogliptinum alogliptine alogliptina alogliptin |
|
| Definitions |
A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_72323 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21397040 PMID:20040339 PMID:22162539 PMID:21682833 PMID:21558879 PMID:23289982 Patent:WO2009022009 PMID:22583697 PMID:22106975 Patent:WO2010072680 PMID:22512582 Reaxys:10587993 PMID:21431099 Wikipedia:Alogliptin PMID:21205126 PMID:22296609 PMID:21806314 PMID:22832924 Patent:US2007066635 PMID:21595274 PMID:21595275 Patent:EP1970063 Drug_Central:4340 PMID:21733058 PMID:22237690 PMID:23298374 PMID:22651127 Patent:US2009275750 PMID:22429011 CAS:850649-61-5 PMID:23220949 Patent:WO2008028914 PMID:22419732 PMID:22249941 |
|
| formula |
C18H21N5O2 |
|
| has role | ||
| has_exact_synonym |
2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
alogliptinum alogliptine alogliptina alogliptin |
|
| has_RxCUI |
1368001 |
|
| id |
CHEBI:72323 |
|
| in_subset | ||
| inchi |
InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 |
|
| inchikey |
ZSBOMTDTBDDKMP-OAHLLOKOSA-N |
|
| is conjugate base of | ||
| label |
alogliptin |
|
| mass |
339.39160 |
|
| monoisotopicmass |
339.16952 |
|
| notation |
CHEBI:72323 |
|
| prefixIRI |
CHEBI:72323 |
|
| prefLabel |
alogliptin |
|
| smiles |
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |
|
| textual definition |
A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50994 http://purl.obolibrary.org/obo/CHEBI_18379 |