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Chemical structure of Diclofenac-d4 sodium

GC71128

Diclofenac-d4 sodium

Also known as sodium 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetate

Diclofenac-d4 (sodium) is the deuterium labeled Diclofenac sodium

ChemicalCAS154523-54-3MW322.16FormulaC14H6D4Cl2NNaO2
CAS number
154523-54-3
Molecular weight
322.16
Formula
C14H6D4Cl2NNaO2
Solubility
H2O ： 10 mg/mL (31·04 mM; ultrasonic and warming and heat to 60°C)
InChIKey
KPHWPUGNDIVLNH-QOJBZNDNSA-M
Catalogue number
GC71128
Brand
GLPBIO
Computed properties PubChem CID 23700928 · TPSA 52.2 Ų · H-bond donors 1 · H-bond acceptors 3
TPSA
52.2 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20

SMILES [2H]C1=C(C(=C(C(=C1[2H])CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl)[2H])[2H].[Na+]

Computed descriptors from PubChem (CID 23700928), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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