Saxagliptin monohydrateProduct ingredient for Saxagliptin
- Name
- Saxagliptin monohydrate
- Drug Entry
- Saxagliptin
Saxagliptin (rINN) is an orally active hypoglycemic (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. FDA approved on July 31, 2009.
- Accession Number
- DBSALT002375
- Structure
- Synonyms
- Saxagliptin hydrate
- External IDs
- BMS-477118-11
- UNII
- 9GB927LAJW
- CAS Number
- 945667-22-1
- Weight
- Average: 333.432
Monoisotopic: 333.205241741 - Chemical Formula
- C18H27N3O3
- InChI Key
- AFNTWHMDBNQQPX-NHKADLRUSA-N
- InChI
- InChI=1S/C18H25N3O2.H2O/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H2/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1
- IUPAC Name
- (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate
- SMILES
- O.[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
- External Links
- KEGG Drug
- D09753
- ChemSpider
- 28530658
- ChEBI
- 71271
- ChEMBL
- CHEMBL2103745
- Predicted Properties
Property Value Source Water Solubility 2.26 mg/mL ALOGPS logP 0.88 ALOGPS logP -0.08 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 14.74 Chemaxon pKa (Strongest Basic) 7.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 90.35 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 83.99 m3·mol-1 Chemaxon Polarizability 33.76 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon