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Chemical structure of Xanthurenic acid-d4

GC76824

Xanthurenic acid-d4

Also known as 3,5,6,7-tetradeuterio-4,8-dihydroxyquinoline-2-carboxylic acid

Xanthurenic acid-d4 is the deuterium labeled Xanthurenic acid

ChemicalCAS1329611-28-0MW209.19FormulaC10H3D4NO4
CAS number
1329611-28-0
Molecular weight
209.19
Formula
C10H3D4NO4
InChIKey
FBZONXHGGPHHIY-RHQRLBAQSA-N
Catalogue number
GC76824
Brand
GLPBIO
Computed properties PubChem CID 136234088 · XLogP 1.3 · TPSA 90.7 Ų · H-bond donors 3
XLogP
1.3
TPSA
90.7 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
15

SMILES [2H]C1=C(C2=C(C(=C1[2H])O)N=C(C(=C2O)[2H])C(=O)O)[2H]

Computed descriptors from PubChem (CID 136234088), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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