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Flubendazole

CAT: 1568-C08086-02Size: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C08086-02Size:1 g
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CAS Number
31430-15-6
Synonyms
Flumoxanal, NSC 313680
SKU
C08086-50mg
Target
Autophagy
Applications
Autophagy
Smiles
COC (=O) NC1=NC2=C (N1) C=C (C=C2) C (=O) C3=CC=C (C=C3) F
Molecular Formula
C16H12FN3O3
Additionnal Information
Flubendazole (Flumoxanal, NSC 313680) is an autophagy inducer by targeting Atg4B, used to treat internal parasite and worm infection.
Storage Conditions
2 years -80 in solvent

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
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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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