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Malathion-d7

CAT: 0931-TMIJ-0456-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0456-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
352438-94-9
Target
Cholinesterase (ChE)
Related Pathways
Neuroscience
Bioactivity
Malathion-d7 is a deuterated compound of Malathion. Malathion has a CAS number of 121-75-5. Malathion is an organophosphate parasympathomimetic which binds irreversibly to cholinesterase, is an insecticide of relatively low human toxicity.
Smiles
CCOC(=O)C([2H])C(SP(OC([2H])([2H])[2H])(=S)OC([2H])([2H])[2H])C(OCC)=O
Molecular Formula
C10H12D7O6PS2
Molecular Weight
337.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Malathion D7
CAS Number352438-94-9
PubChem CID129318117
IUPAC Namediethyl 2-[bis(trideuteriomethoxy)phosphinothioylsulfanyl]-3-deuteriobutanedioate
Molecular FormulaC10H19O6PS2
Molecular Weight337.4
XLogP2.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count19
Formal Charge0
Complexity341
SMILES
[2H]C(C(C(=O)OCC)SP(=S)(OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)OCC
InChI
InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/i3D3,4D3,7D
InChIKey
JXSJBGJIGXNWCI-GPJIBGMCSA-N
Chemical Structure
2D Structure
2D structure of Malathion D7
CAS: 352438-94-9
CID: 129318117
Formula: C10H19O6PS2
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass337.08000489
Monoisotopic Mass337.08000489
Topological Polar Surface Area128 Ų
Heavy Atom Count19
Formal Charge0
Complexity341
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
M111001Malathion-d7 (dimethyl-d6; 3-d1)
TRC-M111000-1GMalathion
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TRC-M111002-2.5MGMalathion-d6
sc-491086Malathion α-monoacid
BAA64251-01Malathion β-monoacid
TRC-M198170-100MGMalathion Diacid
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