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Chemical structure of 4-hydroxy Diclofenac

GC42407

4-hydroxy Diclofenac

Also known as 2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid

4-hydroxy Diclofenac is a CYP2C9 metabolite of the NSAID diclofenac

ChemicalCAS64118-84-9MW312.2FormulaC14H11Cl2NO3
CAS number
64118-84-9
Molecular weight
312.2
Formula
C14H11Cl2NO3
Solubility
30mg/mL in ethanol, or in DMSO, or in DMF
InChIKey
KGVXVPRLBMWZLG-UHFFFAOYSA-N
Catalogue number
GC42407
Brand
GLPBIO
Computed properties PubChem CID 116545 · XLogP 3.7 · TPSA 69.6 Ų · H-bond donors 3
XLogP
3.7
TPSA
69.6 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

SMILES C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl

Computed descriptors from PubChem (CID 116545), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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