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Tetradecanedioic acid-d24

CAT: 0804-HY-W011819S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W011819S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tetradecanedioic acid-d24 is the deuterium labeled Tetradecanedioic acid[1]. Tetradecanedioic acid is an endogenous metabolite and belongs to the class of organic compounds known as long-chain fatty acids. Tetradecanedioic acid can act as a candidate biomarker for organic anion-transporting polypeptide mediated agent-agent interactions[2].
CAS Number
130348-88-8
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Purity
98.80
Solubility
10 mM in DMSO
Smiles
OC(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O)=O
Molecular Formula
C14H2D24O4
Molecular Weight
282.50
Precautions
H302, H315, H319, H335
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]Santockyte R, et al. LC-MS/MS bioanalysis of plasma 1, 14-tetradecanedioic acid and 1, 16-hexadecanedioic acid as candidate biomarkers for organic anion-transporting polypeptide mediated drug-drug interactions. Bioanalysis. 2018 Sep 1;10 (18) :1473-1485.
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

1,14-Tetradecanedioic-D24 acid
CAS Number130348-88-8
PubChem CID102602254
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosadeuteriotetradecanedioic acid
Molecular FormulaC14H26O4
Molecular Weight282.50
XLogP4.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity202
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
InChI
InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
InChIKey
HQHCYKULIHKCEB-JFPVQUMHSA-N
Chemical Structure
2D Structure
2D structure of 1,14-Tetradecanedioic-D24 acid
CAS: 130348-88-8
CID: 102602254
Formula: C14H26O4
MW: 282.50
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.50
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass282.33375121
Monoisotopic Mass282.33375121
Topological Polar Surface Area74.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity202
Isotope Atom Count24
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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