ALOGLIPTIN BENZOATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII EEN99869SC
EPA CompTox DTXSID20582095
Parent Compound: ALOGLIPTIN

Structure

InChI Key KEJICOXJTRHYAK-XFULWGLBSA-N
Smiles Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N5O4
Molecular Weight 461.52
AlogP 0.39
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 97.05
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Dipeptidyl peptidase IV inhibitor INHIBITOR DailyMed

Target Conservation

Protein: Dipeptidyl peptidase IV
Description: Dipeptidyl peptidase 4
Organism : Homo sapiens
P27487 ENSG00000197635

Cross References

Resources Reference
ChEBI 72324
ChEMBL CHEMBL227529
FDA SRS EEN99869SC
PubChem 16088021
SureChEMBL SCHEMBL476231
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