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Chlorpyrifos-oxon

CAT: 0931-T40642-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T40642-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5598-15-2
Target
Others, Cholinesterase (ChE)
Related Pathways
Neuroscience, Others
Bioactivity
Chlorpyrifos-oxon, an active metabolite of Chlorpyrifos, is a potent phosphorylating agent that significantly inhibits AChE activity and induces cross-linking between tubulin subunits, thereby disrupting microtubule function [4].
Smiles
O=P(OC1=NC(Cl)=C(Cl)C=C1Cl)(OCC)OCC
Molecular Formula
C9H11Cl3NO4P
Molecular Weight
334.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chlorpyrifos oxon

Chlorpyrifos oxon examines the risk of acute toxicity in soil microbes by comparing data on environmental concentrations of these pesticides to toxic concentrations. In animals, chlorpyrifos transforms to chlorpyrifos-oxon, which is about 3000 times as potent against the nervous system as chlorpyrifos itself.

CAS Number5598-15-2
PubChem CID21804
IUPAC Namediethyl (3,5,6-trichloro-2-pyridinyl) phosphate
Molecular FormulaC9H11Cl3NO4P
Molecular Weight334.5
XLogP3.5
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity300
SMILES
CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChIKey
OTMOUPHCTWPNSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorpyrifos oxon
CAS: 5598-15-2
CID: 21804
Formula: C9H11Cl3NO4P
MW: 334.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.5
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass332.949128
Monoisotopic Mass332.949128
Topological Polar Surface Area57.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity300
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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