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Chemical structure of Ketoprofen glucuronide

GC41315

Ketoprofen glucuronide

Also listed as (±)-Ketoprofen Glucuronide

(±)-Ketoprofen glucuronide is a phase II metabolite of the non-steroidal anti-inflammatory drug (NSAID) ketoprofen

ChemicalCAS76690-94-3MW430.4FormulaC22H22O9
CAS number
76690-94-3
Molecular weight
430.4
Formula
C22H22O9
Solubility
DMSO： soluble,Methanol： soluble
InChIKey
PBTXSZZKPHBHMA-LYFYOZKASA-N
Catalogue number
GC41315
Brand
GLPBIO
Computed properties PubChem CID 131281 · XLogP 1.7 · TPSA 151 Ų · H-bond donors 4
XLogP
1.7
TPSA
151 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
31

SMILES CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

Computed descriptors from PubChem (CID 131281), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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