Tavaborole (AN-2690)

CAT: 0957-S4996-1gSize: 1 gDry Ice: YesHazardous: No

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CAT#:0957-S4996-1gSize:1 g

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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 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

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

CAS: 174671-46-6

CID: 11499245

Formula: C7H6BFO2

MW: 151.93

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

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 Å²
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

Related Products

Catalog	Name
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S5819-01	MRE-269 (ACT-333679)
S5819-5mg	MRE-269 (ACT-333679)

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Catalog	Name
MBS130063-01	Tavaborole, AN 2690
C10615-1g	Tavaborole (AN-2690)
A3177-100	AN-2690
HY-10980-01	Tavaborole
574377	MRS-2690
A14999-50	AN-2690 50mg
HY-10980R-01	Tavaborole (Standard)

Tavaborole (AN-2690)

Chemical Information

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