52372-86-8

Basic information

• Product Name: 3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT
• Synonyms: PARACETAMOL MERCAPTURATE, SODIUM SALT;3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT;ACETAMINOPHEN MERCAPTURATE;3-(N-Acetyl-L-cystein-S-yl)acetaminophene;Paracetamolmercapturate;Paracetamol Mercapturate, Sodium Salt, Acetaminophen Mercaturate;L-Cysteine, N-acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-;N-Acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine
• CAS NO: 52372-86-8
• Molecular Formula: C13H15N2NaO5S
• Molecular Weight: 334.32
• Product Categories: Various Metabolites and Impurities;Metabolites;Amino Acid Derivatives;Aromatics;Metabolites & Impurities;Sulfur & Selenium Compounds
• Mol File: 52372-86-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 160-163°C
• Boiling Point: 659.5 °C at 760 mmHg
• Flash Point: 352.6 °C
• Appearance: /
• Density: 1.41 g/cm³
• Vapor Pressure: 2.73E-18mmHg at 25°C
• Refractive Index: 1.625
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• PKA: 3.27±0.10(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: 3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT(52372-86-8)
• EPA Substance Registry System: 3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT(52372-86-8)

Safety Data

• Hazardous Substances Data: 52372-86-8(Hazardous Substances Data)

Usage

Chemical Properties

Brownish-Pink Solid

Uses

Different sources of media describe the Uses of 52372-86-8 differently. You can refer to the following data:
1. APAP-CYS is a metabolite of acetaminophen (A161220) implicated in nephrotoxicity.
2. Paracetamol Mercapturate is a metabolite of Acetaminophen (A161220) (1,2). Acetaminophen is a widely used analgesic and antipyretic drug. It can also be used in biological study of urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation.

Definition

ChEBI: An S-substituted N-acetyl-L-cysteine in which the S-substitutuent is specified as 5-acetamido-2-hydroxyphenyl.

InChI:InChI=1/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)/t10-/m0/s1

Upstream product

• 7218-04-4 N-Acetylcysteine 
• 50700-49-7 N-acetyl-p-benzoquinoneimine 

Relevant articles and documents

Paracetamol oxidation: synthesis and reactivity of N-acetyl-p-benzoquinoneimine

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