CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Viscous liquid |
| Solubility | 3.40e-02 g/L |
| LogP | 1.5 |
| Stability/Shelf Life | Stable if stored as directed; avoid strong oxidizing agents. /Sitagliptin phosphate monohydrate/ |
| Decomposition | Thermal decomposition may produce toxic gases such as carbon monoxide, carbon dioxide, and nitrogen oxides. /Sitagliptin phosphate monohydrate/ |
| Other Experimental Properties | MW: 523.32. White to off-white crystalline, non-hygroscopic powder. Soluble in water and N,N-dimethyl formamide; slightly soluble in methanol; very slightly soluble in ethanol, acetone, and acetonitrile; insoluble in isopropanol and isopropyl acetate. /Sitagliptin phosphate monohydrate/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 407.31 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 407.11807909 g/mol |
| Monoisotopic Mass | 407.11807909 g/mol |
| Topological Polar Surface Area | 77 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 566 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Sitagliptin, an oral dipeptidyl peptidase-4 (DPP-4) inhibitor, improves glycaemic control by inhibiting DPP-4 inactivation of the incretin hormones glucagon-like peptide-1 and glucose-dependent insulinotropic polypeptide. It is a medicine used to treat type 2 diabetes.