CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White to pale yellowish-white crystalline powder |
|---|---|
| Melting Point | Crystals as monohydrate from ethanol + water. MP: 245-48 (decomposes) /Edoxaban tosylate/ |
| Dissociation Constants | 6.7 |
| Other Experimental Properties | The solublilty decreases with increasing pH. It is slightly soluble in water, pH 3 to 5 buffer, very slightly soluble at pH 6 to 7; practically insoluble at pH 8 to 9 /Edoxaban tosylate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 548.1 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 547.1768513 g/mol |
| Monoisotopic Mass | 547.1768513 g/mol |
| Topological Polar Surface Area | 165 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 880 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
Edoxaban is a monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism. It has a role as an anticoagulant, an EC 3.4.21.6 (coagulation factor Xa) inhibitor and a platelet aggregation inhibitor. It is a monocarboxylic acid amide, a chloropyridine, a thiazolopyridine and a tertiary amino compound. It is a conjugate base of an edoxaban(1+).