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2,4-D-d5

CAT: 0804-HY-18572S2Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18572S2Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2,4-D-d5 is the deuterium labeled 2,4-D[1]. 2,4-D (2,4-Dichlorophenoxyacetic acid) is a selective systemic herbicide for the control of broad-leaved weeds. 2,4-D acts as a plant hormone, causing uncontrolled growth in the meristematic tissues. 2,4-D inhibits DNA and protein synthesis and thereby prevents normal plant growth and development[2].
CAS Number
352438-69-8
UNSPSC
12352005
Target
DNA/RNA Synthesis
Type
Isotope-Labeled Compounds
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Others
Purity
99.39
Solubility
DMSO : 100 mg/mL (ultrasonic; warming)
Smiles
OC(C([2H])([2H])OC1=C(C([2H])=C(C([2H])=C1[2H])Cl)Cl)=O
Molecular Formula
C8HD5Cl2O3
Molecular Weight
226.07
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Germaine KJ, et al. Bacterial endophyte-enhanced phytoremediation of the organochlorine herbicide 2,4-dichlorophenoxyacetic acid. FEMS Microbiol Ecol. 2006 Aug;57 (2) :302-10.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(2,4-Dichlorophenoxy-d3)acetic-d2 Acid
CAS Number352438-69-8
PubChem CID131852820
IUPAC Name2,2-dideuterio-2-(2,4-dichloro-3,5,6-trideuteriophenoxy)acetic acid
Molecular FormulaC8H6Cl2O3
Molecular Weight226.06
XLogP2.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
[2H]C1=C(C(=C(C(=C1OC([2H])([2H])C(=O)O)Cl)[2H])Cl)[2H]
InChI
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i1D,2D,3D,4D2
InChIKey
OVSKIKFHRZPJSS-QUWGTZMWSA-N
Chemical Structure
2D Structure
2D structure of (2,4-Dichlorophenoxy-d3)acetic-d2 Acid
CAS: 352438-69-8
CID: 131852820
Formula: C8H6Cl2O3
MW: 226.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.06
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass225.0007832
Monoisotopic Mass225.0007832
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
Isotope Atom Count5
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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