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Tavaborole (AN-2690)

CAT: 1568-C10615-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C10615-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
174671-46-6
Target
Fungal
Applications
Microbiology
Smiles
B1 (C2=C (CO1) C=C (C=C2) F) O
Molecular Formula
C7H6BFO2
Additionnal Information
Tavaborole (AN-2690) is a boron-containing small molecule with broad spectrum antifungal activity.
Storage Conditions
2 years -80 in solvent

Chemical Information

Tavaborole

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 Number174671-46-6
PubChem CID11499245
IUPAC Name5-fluoro-1-hydroxy-3H-2,1-benzoxaborole
Molecular FormulaC7H6BFO2
Molecular Weight151.93
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
B1(C2=C(CO1)C=C(C=C2)F)O
InChI
InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
InChIKey
LFQDNHWZDQTITF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tavaborole
CAS: 174671-46-6
CID: 11499245
Formula: C7H6BFO2
MW: 151.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.93
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass152.0444878
Monoisotopic Mass152.0444878
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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