CHEMICAL AND PHYSICAL PROPERTIES
| Stability/Shelf Life | Stable under recommended storage conditions. /Cangrelor tetrasodium salt/ |
|---|---|
| Other Experimental Properties | Freely soluble in water /Cangrelor tetrasodium salt/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 776.4 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 15 |
| Exact Mass | 774.9483145 g/mol |
| Monoisotopic Mass | 774.9483145 g/mol |
| Topological Polar Surface Area | 307 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1140 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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
Cangrelor is a nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. It has a role as a platelet aggregation inhibitor and a P2Y12 receptor antagonist. It is a nucleoside triphosphate analogue, an organofluorine compound, an aryl sulfide, an organochlorine compound, a secondary amino compound and an adenosine 5'-phosphate. It is a conjugate acid of a cangrelor(4-).