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Chemical structure of Acetaminophen glucuronide

GC62824

Acetaminophen glucuronide

Also known as (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Acetaminophen glucuronide (APAP-glu) is an inactive glucuronide metabolite of Acetaminophen

ChemicalCAS16110-10-4MW327.29FormulaC14H17NO8
CAS number
16110-10-4
Molecular weight
327.29
Formula
C14H17NO8
InChIKey
IPROLSVTVHAQLE-BYNIDDHOSA-N
Catalogue number
GC62824
Brand
GLPBIO
Computed properties PubChem CID 83944 · XLogP -0.8 · TPSA 146 Ų · H-bond donors 5
XLogP
-0.8
TPSA
146 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
23

SMILES CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Computed descriptors from PubChem (CID 83944), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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