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Nitenpyram-d3

CAT: 0804-HY-W724347-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W724347-02Size:1 mg
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Description
Nitenpyram-d3 is deuterium labeled Nitenpyram[1].
CAS Number
2749978-80-9
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
ClC1=CC=C(C=N1)CN(/C(NC([2H])([2H])[2H])=C/[N+]([O-])=O)CC
Molecular Formula
C11H12D3ClN4O2
Molecular Weight
273.73
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Nitenpyram-d3 (N-methyl-d3)
CAS Number2749978-80-9
PubChem CID163332207
IUPAC Name(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-2-nitro-1-N-(trideuteriomethyl)ethene-1,1-diamine
Molecular FormulaC11H15ClN4O2
Molecular Weight273.73
XLogP2.4
Topological Polar Surface Area74
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity306
SMILES
[2H]C([2H])([2H])N/C(=C\[N+](=O)[O-])/N(CC)CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+/i2D3
InChIKey
CFRPSFYHXJZSBI-UTYKQOGWSA-N
Chemical Structure
2D Structure
2D structure of Nitenpyram-d3 (N-methyl-d3)
CAS: 2749978-80-9
CID: 163332207
Formula: C11H15ClN4O2
MW: 273.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.73
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass273.1071837
Monoisotopic Mass273.1071837
Topological Polar Surface Area74 Ų
Heavy Atom Count18
Formal Charge0
Complexity306
Isotope Atom Count3
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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