CHEBI:72324 - alogliptin benzoate

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ChEBI Name alogliptin benzoate
ChEBI ID CHEBI:72324
Definition A benzoate salt obtained by combining equimolar amounts of alogliptin and benzoic acid. Used for treatment of type 2 diabetes.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB61011067
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Formulae C18H21N5O2.C7H6O2
C25H27N5O4
Net Charge 0
Average Mass 461.51300
Monoisotopic Mass 461.20630
InChI InChI=1S/C18H21N5O2.C7H6O2/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;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m1./s1
InChIKey KEJICOXJTRHYAK-XFULWGLBSA-N
SMILES OC(=O)c1ccccc1.Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Roles Classification
Biological Role(s): EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor
An EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor that specifically inhibits dipeptidyl peptidase-4 (EC 3.4.14.5).
Application(s): hypoglycemic agent
A drug which lowers the blood glucose level.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alogliptin benzoate (CHEBI:72324) has part alogliptin(1+) (CHEBI:72326)
alogliptin benzoate (CHEBI:72324) has role EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor (CHEBI:68612)
alogliptin benzoate (CHEBI:72324) has role hypoglycemic agent (CHEBI:35526)
alogliptin benzoate (CHEBI:72324) is a benzoate salt (CHEBI:72325)
IUPAC Names
(3R)-1-[3-(2-cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]piperidin-3-aminium benzoate
2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile benzoate
Synonyms Sources
6-((3R)-3-aminopiperidin-1-yl)-1-(2-cyanobenzyl)-3-methylpyrimidin-2,4(1H,3H)-dione monobenzoate ChemIDplus
alogliptin monobenzoate ChEBI
SYR 322 ChemIDplus
SYR-322 ChemIDplus
Brand Name Source
Nesina ChEBI
Manual Xrefs Databases
Alogliptin Wikipedia
D06553 KEGG DRUG
EP1586571 Patent
EP1970063 Patent
US2007066635 Patent
WO2010109468 Patent
WO2011141903 Patent
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Registry Numbers Types Sources
12413070 Reaxys Registry Number Reaxys
850649-62-6 CAS Registry Number KEGG DRUG
850649-62-6 CAS Registry Number ChemIDplus
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Last Modified
11 February 2013