Acetaminophen glucuronide

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Systematic / IUPAC Name: 4-Acetamidophenyl ß-D-glucopyranosiduronic acid

ID: Reference292

Other Names: p-Acetamidophenylglucuronide;
p-Acetamidophenyl-ß-D-gluguronide;
Acetaminophen O-glucuronide;
(2S,3S,4S,5R,6S)-6-(4-Acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;
4-(Acetylamino)phenyl β-D-glucopyranosiduronic acid

Formula: C14H17NO8

Class: Therapeutics/Prescription Drugs

Spectral Data

Acetaminophen glucuronide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 196
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/9/2014 3:34:00 PM
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Identificators

InChI InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
InChI Key IPROLSVTVHAQLE-BYNIDDHOSA-N
Canonical SMILES O=C(Nc2ccc(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)cc2)C
CAS 16110104
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Other Names p-Acetamidophenylglucuronide;
p-Acetamidophenyl-ß-D-gluguronide;
Acetaminophen O-glucuronide;
(2S,3S,4S,5R,6S)-6-(4-Acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;
4-(Acetylamino)phenyl β-D-glucopyranosiduronic acid;
Paracetamol glucuronide

In Other Databases

ChemSpider 3239926
PubChem 4022661