Alogliptin Benzoate
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid
Molecular Identity
Alogliptin Benzoate
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid
PubChem CID: 16088021
Alogliptin benzoate is a benzoate salt obtained by combining equimolar amounts of alogliptin and benzoic acid. Used for treatment of type 2 diabetes. It has a role as a hypoglycemic agent and an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor. It contains an alogliptin(1+).
2D Structure
Properties
C25H27N5O4
Molecular Formula
461.50
Molecular Weight
g/mol
461.2063
Exact Mass
Da
131
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
726
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N.C1=CC=C(C=C1)C(=O)OIsomeric SMILES
SMILES: CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N.C1=CC=C(C=C1)C(=O)OSynonyms(20)
Alogliptin benzoate850649-62-6NesinaSYR-322SYR 322Alogliptin (as benzoate)EEN99869SCCHEBI:72324OSENI COMPONENT ALOGLIPTIN BENZOATEKAZANO COMPONENT ALOGLIPTIN BENZOATEBenzonitrile, 2-((6-((3R)-3-amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)-, monobenzoateSYR3222-((6-((3R)-3-AMINOPIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL)BENZONITRILE MONOBENZOATE2-({6-[(3R)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile monobenzoateRefChem:57143
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Alogliptin Benzoate
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