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Fenobucarb (Standard)

CAT: 0804-HY-B0835R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0835R-01Size:25 mg
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Description
Fenobucarb (Standard) is the analytical standard of Fenobucarb. This product is intended for research and analytical applications. Fenobucarb is a carbamate insecticide. Fenobucarb induces zebrafish developmental neurotoxicity through pathways involved in inflammation, oxidative stress, degeneration and apoptosis. Fenobucarb is a possible risk factor to cardiovascular and cerebrovascular systems in animals[1][2].
CAS Number
3766-81-2
UNSPSC
12352005
Target
Apoptosis; Caspase; Cholinesterase (ChE) ; Reactive Oxygen Species (ROS) ; Reference Standards
Type
Reference Standards
Related Pathways
Apoptosis; Immunology/Inflammation; Metabolic Enzyme/Protease; Neuronal Signaling; NF-κB; Others
Field of Research
Inflammation/Immunology; Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/fenobucarb-standard.html
Smiles
CCC(C1=CC=CC=C1OC(NC)=O)C
Molecular Formula
C12H17NO2
Molecular Weight
207.27
References & Citations
[1]Xiao-Yu Zhu, et al. Fenobucarb-induced developmental neurotoxicity and mechanisms in zebrafish. Neurotoxicology. 2020 Jul;79:11-19.|[2]Xiao-Yu Zhu, et al. Fenobucarb induces heart failure and cerebral hemorrhage in zebrafish. Aquat Toxicol. 2019 Apr;209:34-41.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Fenobucarb

Fenobucarb is a carbamate ester obtained by the formal condensation of 2-sec-butylphenol with methylcarbamic acid. It has a role as a herbicide, an insecticide, an agrochemical, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an environmental contaminant. It is functionally related to a 2-sec-butylphenol and a methylcarbamic acid.

CAS Number3766-81-2
PubChem CID19588
IUPAC Name(2-butan-2-ylphenyl) N-methylcarbamate
Molecular FormulaC12H17NO2
Molecular Weight207.27
XLogP2.8
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity206
SMILES
CCC(C)C1=CC=CC=C1OC(=O)NC
InChI
InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKey
DIRFUJHNVNOBMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenobucarb
CAS: 3766-81-2
CID: 19588
Formula: C12H17NO2
MW: 207.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.27
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass207.125928785
Monoisotopic Mass207.125928785
Topological Polar Surface Area38.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity206
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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