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Amitraz metabolite-d3

CAT: 0804-HY-146963S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146963S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Amitraz metabolite-d3 is the deuterium labeled Amitraz metabolite.
CAS Number
1255517-75-9
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])N/C=N/C1=C(C=C(C=C1)C)C
Molecular Formula
C10H11D3N2
Molecular Weight
165.25
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

N-(2,4-dimethylphenyl)-N'-(trideuteriomethyl)methanimidamide
CAS Number1255517-75-9
PubChem CID71312542
IUPAC NameN-(2,4-dimethylphenyl)-N'-(trideuteriomethyl)methanimidamide
Molecular FormulaC10H14N2
Molecular Weight165.25
XLogP1.7
Topological Polar Surface Area24.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
[2H]C([2H])([2H])N=CNC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C10H14N2/c1-8-4-5-10(9(2)6-8)12-7-11-3/h4-7H,1-3H3,(H,11,12)/i3D3
InChIKey
JIIOLEGNERQDIP-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-dimethylphenyl)-N'-(trideuteriomethyl)methanimidamide
CAS: 1255517-75-9
CID: 71312542
Formula: C10H14N2
MW: 165.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.25
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass165.134528693
Monoisotopic Mass165.134528693
Topological Polar Surface Area24.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
Isotope Atom Count3
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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Alternative Products

CatalogName
CS-O-37462Amitraz-d3
FA17870-01Amitraz
CS-O-43026Tegoprazan Metabolite M1-d3
CS-O-46660Lumateperone metabolite M131-D3
CS-O-52795Volasertib metabolite CD10899 D3
AR-I01249-01Iloperidone-d3 metabolite P88
AR-C03275-01Clopidogrel Metabolite II-d3
AR-C03273-01Clopidogrel Metabolite I-d3
CS-O-20100Clevidipine Metabolite-13C, d3

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