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Monocrotophos-d6

CAT: 0804-HY-132409S-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132409S-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Monocrotophos-d6 is the deuterium labeled Monocrotophos. Monocrotophos. Monocrotophos is an organophosphate insecticide with broad application in crops. Monocrotophos inhibits the activity of the acetylcholine esterase (AChE) enzyme and affects the neurotransmission between neurons[1].
CAS Number
1795136-77-4
UNSPSC
12352211
Target
Cholinesterase (ChE) ; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Neuronal Signaling; Others
Field of Research
Infection; Neurological Disease
Solubility
10 mM in DMSO
Smiles
P(OC(=CC(NC)=O)C)(OC([2H])([2H])[2H])(OC([2H])([2H])[2H])=O
Molecular Formula
C₇H₈D₆NO₅P
Molecular Weight
229.20
References & Citations
[1]Simranjeet Singh, et al. Toxicity and detoxification of monocrotophos from ecosystem using different approaches: A review. Chemosphere. 2021 Jul;275:130051.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Monocrotophos-d6
CAS Number1795136-77-4
PubChem CID71750789
IUPAC Name[(E)-4-(methylamino)-4-oxobut-2-en-2-yl] bis(trideuteriomethyl) phosphate
Molecular FormulaC7H14NO5P
Molecular Weight229.20
XLogP-0.2
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity267
SMILES
[2H]C([2H])([2H])OP(=O)(O/C(=C/C(=O)NC)/C)OC([2H])([2H])[2H]
InChI
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+/i3D3,4D3
InChIKey
KRTSDMXIXPKRQR-DMEHDTLASA-N
Chemical Structure
2D Structure
2D structure of Monocrotophos-d6
CAS: 1795136-77-4
CID: 71750789
Formula: C7H14NO5P
MW: 229.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.20
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass229.09862002
Monoisotopic Mass229.09862002
Topological Polar Surface Area73.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity267
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-M526052-2.5MGMonocrotophos-d6
TRC-M526053-2.5MGMonocrotophos-d6 (Major)
S-2645Monocrotophos
S-2645-ACNMonocrotophos - EACH
RG-A260866-01Monocrotophos (controlled substance)
REPET380NPesticide Std Monocrotophos Neat - 10MG
LCS-26451000 ug/mL Monocrotophos in Acetonitrile - 1ML
REPET381Pesticide Std Monocrotophos 2000ug/mL in MeCn - 1ML
REPET380Pesticide Std Monocrotophos 1000ug/mL in MeCn - 1ML
S-2645-AC1000 ug/mL Monocrotophos in Acetone Volume: 1mL Ampule - 1ML

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