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Flubendazole

CAT: 0607-B1759-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1759-50Size:50 mg
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Description
Autophagy activator
CAS Number
31430-15-6
Product Name Alternative
methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Purity
0.9949
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥10.71 mg/mL in DMSO with gentle warming
Smiles
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F
Molecular Formula
C16H12FN3O3
Molecular Weight
313.28
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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