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Azoxystrobin

CAT: 0931-T21275-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21275-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131860-33-8
Target
ROS, Antifungal, Phosphatase, Apoptosis, Reactive Oxygen Species, Antibacterial
Related Pathways
Metabolism, Apoptosis, Immunology/Inflammation, Microbiology/Virology, NF-κB
Purity
0.9982
Bioactivity
Azoxystrobin (Bankit) is a broad-spectrum fungicide. Azoxystrobin induces ROS production, cell apoptosis and mitochondrial respiration by blocking electron transfer between cytochromes b and c1.
Smiles
C(\C(OC)=O)(=C/OC)/C1=C(OC=2C=C(OC3=C(C#N)C=CC=C3)N=CN2)C=CC=C1
Molecular Formula
C22H17N3O5
Molecular Weight
403.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azoxystrobin

Azoxystrobin is an aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture. It has a role as a quinone outside inhibitor, a xenobiotic, a mitochondrial cytochrome-bc1 complex inhibitor, an environmental contaminant and an antifungal agrochemical. It is a nitrile, a methyl ester, an enol ether, an aryloxypyrimidine, an enoate ester and a methoxyacrylate strobilurin antifungal agent.

CAS Number131860-33-8
PubChem CID3034285
IUPAC Namemethyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
Molecular FormulaC22H17N3O5
Molecular Weight403.4
XLogP3.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity646
SMILES
CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC
InChI
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChIKey
WFDXOXNFNRHQEC-GHRIWEEISA-N
Chemical Structure
2D Structure
2D structure of Azoxystrobin
CAS: 131860-33-8
CID: 3034285
Formula: C22H17N3O5
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass403.11682065
Monoisotopic Mass403.11682065
Topological Polar Surface Area104 Ų
Heavy Atom Count30
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-A965150-250MGAzoxystrobin
KXB25509-01Azoxystrobin acid
WDC60639-01Azoxystrobin-d4
TFA13094-01(Z) -Azoxystrobin
TRC-A965155-25MG(Z)-Azoxystrobin

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