Rivaroxaban

Chemical Information
Rivaroxaban is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery. It has a role as an anticoagulant and an EC 3.4.21.6 (coagulation factor Xa) inhibitor. It is a lactam, a member of thiophenes, a monocarboxylic acid amide, an organochlorine compound, a member of morpholines, an oxazolidinone and an aromatic amide.
| CAS Number | 366789-02-8 |
| PubChem CID | 9875401 |
| IUPAC Name | 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide |
| Molecular Formula | C19H18ClN3O5S |
| Molecular Weight | 435.9 |
| XLogP | 2.5 |
| Topological Polar Surface Area | 116 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 645 |
| Property | Value |
|---|---|
| Molecular Weight | 435.9 |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 435.0655696 |
| Monoisotopic Mass | 435.0655696 |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 645 |
| 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 |
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