AcetaminophenGlucuronide(sodiumsalt)

4-Acetamidophenyl b-D-glucuronide sodium salt 4-Acetamidophenyl b-D-glucuronide sodium salt is a pharmaceutical drug that is a metabolite of acetaminophen. It can be detected in the urine by biochips, which are microarrays that contain immobilized binding sites for specific analytes. The analysis of 4-acetamidophenyl b-D-glucuronide sodium salt in urine is used to screen for the use of acetaminophen and to identify cytochrome P450 2C19 (CYP2C19) activity. This drug can also be detected by spectrometric methods using biochemical assays on plates or hepatocytes and mass spectrometric detection methods using liquid chromatography/mass spectrometry (LC/MS). Acetaminophen has been shown to have toxic effects on the liver, kidneys, and lungs in humans, as well as on diode photoluminescence. CAS Number 120595-80-4 Product Name Sodium 6-(4-acetamidophenoxy)-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name sodium;6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate Molecular Formula C14H16NNaO8 Molecular Weight 349.27 g/mol InChI InChI=1S/C14H17NO8.Na/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);/q;+1/p-1 InChI Key OINXIJJEOMGKPB-CYRSAHDMSA-M SMILES CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)[O-])O)O)O.[Na+] Solubility Soluble in DMSO Synonyms Acetaminophen glucuronide, 4-Acetamidophenol Glucuronide, APAP Glucuronide, 4'-Hydroxyacetanilide Glucuronide, Paracetamol Glucuronide Canonical SMILES CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)[O-])O)O)O.[Na+] Isomeric 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.[Na+] CAS No: 120595-80-4 MDL No: MFCD00153898 Chemical Formula: C14H16NNaO8 Molecular Weight: 349.27 References: 1. Bales, et al., Clin. Chem. 1984, 30, p1631