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Kynurenic Acid-d5

CAT: 0931-TMID-0171-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0171-01Size:1 mg
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CAS Number
350820-13-2
Target
Endogenous Metabolite, CXCR, Apoptosis, GPCR, iGluR
Related Pathways
Autophagy, Membrane transporter/Ion channel, Metabolism, Apoptosis, Neuroscience, Immunology/Inflammation, GPCR/G Protein, Endocrinology/Hormones
Bioactivity
Kynurenic Acid-d5 is a deuterated compound of Kynurenic Acid. Kynurenic Acid has a CAS number of 492-27-3. Kynurenic acid, a natural metabolite of tryptophan via the kynurenine pathway, is a broad-spectrum excitatory amino acid antagonist.
Smiles
OC=1C2=C(N=C(C(O)=O)C1[2H])C(=C(C(=C2[2H])[2H])[2H])[2H]
Molecular Formula
C10H2D5NO3
Molecular Weight
194.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Oxo(3,5,6,7,8-~2~H_5_)-1,4-dihydroquinoline-2-carboxylic acid
CAS Number350820-13-2
PubChem CID136242412
IUPAC Name3,5,6,7,8-pentadeuterio-4-hydroxyquinoline-2-carboxylic acid
Molecular FormulaC10H7NO3
Molecular Weight194.20
XLogP1.7
Topological Polar Surface Area70.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity231
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=N2)C(=O)O)[2H])O)[2H])[2H]
InChI
InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
InChIKey
HCZHHEIFKROPDY-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of 4-Oxo(3,5,6,7,8-~2~H_5_)-1,4-dihydroquinoline-2-carboxylic acid
CAS: 350820-13-2
CID: 136242412
Formula: C10H7NO3
MW: 194.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight194.20
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass194.073976815
Monoisotopic Mass194.073976815
Topological Polar Surface Area70.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity231
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