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Tempone-d16

CAT: 0804-HY-129242S1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-129242S1Size:1 mg
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Description
Tempone-d16 is the deuterium labeled Tempone[1].
CAS Number
36763-53-8
Product Name Alternative
4-Oxo-Tempo-d16
UNSPSC
12352005
Hazard Statement
H400-H410
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
DMSO : 30 mg/mL (ultrasonic; warming)
Smiles
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C1([2H])[2H])N([O-])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C1=O
Molecular Formula
C9D16NO2-
Molecular Weight
186.33
Precautions
P273-P391-P501
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

CID 16213282
CAS Number36763-53-8
PubChem CID16213282
Molecular FormulaC9H16NO2
Molecular Weight186.33
XLogP0.5
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity189
SMILES
[2H]C1(C(=O)C(C(N(C1(C([2H])([2H])[2H])C([2H])([2H])[2H])[O])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2
InChIKey
WSGDRFHJFJRSFY-NMRSHPDNSA-N
Chemical Structure
2D Structure
2D structure of CID 16213282
CAS: 36763-53-8
CID: 16213282
Formula: C9H16NO2
MW: 186.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.33
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass186.218531688
Monoisotopic Mass186.218531688
Topological Polar Surface Area21.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity189
Isotope Atom Count16
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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