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Flubendazole

CAT: 0013-GTR19162625-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162625-04Size:100 mg
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Description
Flubendazole is an anthelmintic that is used to treat worm infection in humans. It is available OTC in Europe.
CAS Number
31430-15-6
Product Name Alternative
NSC 313680 | R-17889 | R-17899
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 1 mg/mL (3.19 mM)
Smiles
O=C (OC) NC1=NC2=CC (C (C3=CC=C (F) C=C3) =O) =CC=C2N1
Molecular Formula
C16H12FN3O3
Molecular Weight
313.29
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Methyl (5- (4-fluorobenzoyl) -1H-benzo[d]imidazol-2-yl) carbamate

Chemical Information

Flubendazole

Flubendazole is a member of the class of mebendazole in which the benzoyl group is replaced by a p-fluorobenzoyl group. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. It has a role as an antinematodal drug and a teratogenic agent. It is a member of benzimidazoles, a carbamate ester, an organofluorine compound and an aromatic ketone.

CAS Number31430-15-6
PubChem CID35802
IUPAC Namemethyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC16H12FN3O3
Molecular Weight313.28
XLogP2.9
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity454
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
InChIKey
CPEUVMUXAHMANV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flubendazole
CAS: 31430-15-6
CID: 35802
Formula: C16H12FN3O3
MW: 313.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.28
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass313.08626942
Monoisotopic Mass313.08626942
Topological Polar Surface Area84.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity454
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

Alternative Products

CatalogName
F040-25GFlubendazole

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