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Chemical structure of L-Kynurenine-d4

GC49505

L-Kynurenine-d4

Also known as (2S)-2-amino-4-(2-amino-3,5-dideuteriophenyl)-3,3-dideuterio-4-oxobutanoic acid

L-Kynurenine-d4 is an aryl hydrocarbon receptor agonist

ChemicalCAS2672568-86-2MW212.2FormulaC10H8D4N2O3
CAS number
2672568-86-2
Molecular weight
212.2
Formula
C10H8D4N2O3
Solubility
DMF: 0·5mg/mL,DMSO: 1mg/mL,Ethanol: 2mg/mL
InChIKey
YGPSJZOEDVAXAB-LVQMRTGASA-N
Catalogue number
GC49505
Brand
GLPBIO
Computed properties PubChem CID 162640434 · XLogP -2.2 · TPSA 106 Ų · H-bond donors 3
XLogP
-2.2
TPSA
106 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
15

SMILES [2H]C1=CC(=C(C(=C1)C(=O)C([2H])([2H])[C@@H](C(=O)O)N)N)[2H]

Computed descriptors from PubChem (CID 162640434), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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