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Permethrin-d5

CAT: 0804-HY-B0887S-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0887S-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Permethrin-d5 (NRDC-143-d5) is the deuterium labeled Permethrin. Permethrin (NRDC-143) is an insecticide, acaricide, and insect repellent; functions as a neurotoxin, affecting neuron membranes by prolonging sodium channel activation[1][2].
CAS Number
1794760-19-2
Product Name Alternative
NRDC-143-d5
UNSPSC
12352005
Hazard Statement
H302+H332-H317-H410
Target
Parasite
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Purity
99.21
Solubility
10 mM in DMSO|DMSO : 50mg/mL (ultrasonic)
Smiles
C(=C(Cl)Cl)C1C(C(OCC2=CC(OC3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])=CC=C2)=O)C1(C)C
Molecular Formula
C21H15D5Cl2O3
Molecular Weight
396.32
Precautions
P261-P264-P270-P271-P272-P273-P280-P302+P352-P304+P340-P330-P362+P364-P391-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Xiao X, et al. Exposure to permethrin promotes high fat diet-induced weight gain and insulin resistance in male C57BL/6J mice. Food Chem Toxicol. 2018 Jan;111:405-416.|[3]Smith LB, et al. CYP-mediated permethrin resistance in Aedes aegypti and evidence for trans-regulation. PLoS Negl Trop Dis. 2018 Nov 19;12 (11) :e0006933.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(3-(2,3,4,5,6-Pentadeuteriophenoxy)phenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CAS Number1794760-19-2
PubChem CID71751437
IUPAC Name[3-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC21H20Cl2O3
Molecular Weight396.3
XLogP6.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity521
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC=CC(=C2)COC(=O)C3C(C3(C)C)C=C(Cl)Cl)[2H])[2H]
InChI
InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/i3D,4D,5D,8D,9D
InChIKey
RLLPVAHGXHCWKJ-YQYLVRRTSA-N
Chemical Structure
2D Structure
2D structure of (3-(2,3,4,5,6-Pentadeuteriophenoxy)phenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CAS: 1794760-19-2
CID: 71751437
Formula: C21H20Cl2O3
MW: 396.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight396.3
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass395.1103336
Monoisotopic Mass395.1103336
Topological Polar Surface Area35.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity521
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes