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Fenbendazole sulfone

CAT: 0804-HY-W011239-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W011239-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fenbendazole sulfone (Oxfendazole sulfone; FBZ-SO2) is a minor metabolite of Fenbendazole in plasma and is a benzimidazole anthelmintic agent[1][2].
CAS Number
54029-20-8
Product Name Alternative
Oxfendazole sulfone; FBZ-SO2
UNSPSC
12352005
Hazard Statement
H302-H315-H317-H410
Target
Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/fenbendazole-sulfone.html
Solubility
10 mM in DMSO
Smiles
O=C(OC)NC1=NC2=CC=C(S(=O)(C3=CC=CC=C3)=O)C=C2N1
Molecular Formula
C15H13N3O4S
Molecular Weight
331.35
Precautions
P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501
References & Citations
[1]M B Petersen, et al. Pharmacokinetics of Fenbendazole Following Intravenous and Oral Administration to Pigs. Am J Vet Res. 2000 May;61 (5) :573-6.|[2]David L Brandon, et al. Analysis of Fenbendazole Residues in Bovine Milk by ELISA. J Agric Food Chem. 2002 Oct 9;50 (21) :5791-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Oxfendazole sulfone

sulfone metabolite of oxfendazole; structure given in first source

CAS Number54029-20-8
PubChem CID162136
IUPAC Namemethyl N-[6-(benzenesulfonyl)-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC15H13N3O4S
Molecular Weight331.3
XLogP2.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity527
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O4S/c1-22-15(19)18-14-16-12-8-7-11(9-13(12)17-14)23(20,21)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKey
UAFDGCOOJPIAHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxfendazole sulfone
CAS: 54029-20-8
CID: 162136
Formula: C15H13N3O4S
MW: 331.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.3
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass331.06267708
Monoisotopic Mass331.06267708
Topological Polar Surface Area110 Ų
Heavy Atom Count23
Formal Charge0
Complexity527
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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