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Chemical structure of Kynurenic acid-d5

GC26184

Kynurenic acid-d5

Also known as 3,5,6,7,8-pentadeuterio-4-oxo-1H-quinoline-2-carboxylic acid

Kynurenic acid-d5 is the deuterium labeled Kynurenic acid

ChemicalCAS350820-13-2MW194.2FormulaC10H2D5NO3
CAS number
350820-13-2
Molecular weight
194.2
Formula
C10H2D5NO3
Solubility
0·1 M NaOH : 12·5 mg/mL (64·37 mM; ultrasonic and adjust pH to 9 with NaOH)
InChIKey
HCZHHEIFKROPDY-RALIUCGRSA-N
Catalogue number
GC26184
Brand
GLPBIO
Computed properties PubChem CID 71749705 · XLogP 1.3 · TPSA 66.4 Ų · H-bond donors 2
XLogP
1.3
TPSA
66.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

SMILES [2H]C1=C(C(=C2C(=C1[2H])C(=O)C(=C(N2)C(=O)O)[2H])[2H])[2H]

Computed descriptors from PubChem (CID 71749705), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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