CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 642.9±55.0 |
|---|---|
| Melting Point | 68-72 |
| Solubility | almost insoluble |
| LogP | 3.44 |
| Dissociation Constants | 13.34 |
| Other Experimental Properties | log Kow: 1.59; Koc: 5.9 /Canagliflozin hemihydrate (928672-86-0)/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 444.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 444.14067323 g/mol |
| Monoisotopic Mass | 444.14067323 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 574 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Canagliflozin is used (in its hemihydrate form) to treat type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has a role as a hypoglycemic agent and a sodium-glucose transport protein subtype 2 inhibitor. It is a C-glycosyl compound, a member of thiophenes and an organofluorine compound.