Tavaborole (AN-2690)

Chemical Information
Tavaborole is a member of the class of benzoxaboroles that is 1,3-dihydro-1-hydroxy-2,1-benzoxaborole substituted at position 5 by a fluoro group. A topical antifungal agent used for the treatment of onychomycosis (fungal infection of the toenails and fingernails). It has a role as an antifungal agent, a protein synthesis inhibitor and an EC 6.1.1.4 (leucine--tRNA ligase) inhibitor. It is an organofluorine compound and a benzoxaborole.
| CAS Number | 174671-46-6 |
| PubChem CID | 11499245 |
| IUPAC Name | 5-fluoro-1-hydroxy-3H-2,1-benzoxaborole |
| Molecular Formula | C7H6BFO2 |
| Molecular Weight | 151.93 |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 155 |
| Property | Value |
|---|---|
| Molecular Weight | 151.93 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.0444878 |
| Monoisotopic Mass | 152.0444878 |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 155 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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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