Alogliptin benzoateProduct ingredient for Alogliptin
- Name
- Alogliptin benzoate
- Drug Entry
- Alogliptin
Alogliptin is a selective, orally-bioavailable inhibitor of enzymatic activity of dipeptidyl peptidase-4 (DPP-4). Chemically, alogliptin is prepared as a benzoate salt and exists predominantly as the R-enantiomer (>99%). It undergoes little or no chiral conversion in vivo to the (S)-enantiomer. FDA approved January 25, 2013.
- Accession Number
- DBSALT000007
- Structure
- Synonyms
- Not Available
- External IDs
- SYR 322 / SYR-322
- UNII
- EEN99869SC
- CAS Number
- 850649-62-6
- Weight
- Average: 461.513
Monoisotopic: 461.206304377 - Chemical Formula
- C25H27N5O4
- InChI Key
- KEJICOXJTRHYAK-XFULWGLBSA-N
- 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
- IUPAC Name
- 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile; benzoic acid
- SMILES
- OC(=O)C1=CC=CC=C1.[H][C@@]1(N)CCCN(C1)C1=CC(=O)N(C)C(=O)N1CC1=CC=CC=C1C#N
- External Links
- PubChem Compound
- 16088021
- ChemSpider
- 17246652
- ChEBI
- 72324
- ChEMBL
- CHEMBL227529
- Wikipedia
- Alogliptin
- Predicted Properties
Property Value Source Water Solubility 0.58 mg/mL ALOGPS logP 0.66 ALOGPS logP 1.16 Chemaxon logS -2.8 ALOGPS pKa (Strongest Basic) 9.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 93.67 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 104.26 m3·mol-1 Chemaxon Polarizability 35.03 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon