Acetaminophen Mercapturate

Basic Information

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CAS Number

52372-86-8

Molecular Formula

C13H16N2O5S

Molecular Weight

312.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

160-163°C

SMILES

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CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/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

InChIKey

DVPRQNKJGQEICH-JTQLQIEISA-N

LogP

1.0319999999999996

Topological Polar Surface Area

115.73 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

404

Safety Information

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Stability

Hygroscopic

Synonyms & References

English

N-Acetyl-2-(N-acetyl-L-S-cysteinyl)-4-aminophenol
DTXSID30966766
N-Acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine
(2R)-2-acetamido-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-propanoic acid
2-hydroxyphenyl)sulfanylpropanoic acid
CHEBI:133435
UNII-R86SEU3G6U
(2R)-2-acetamido-3-(5-acetamido-2-hydroxyphenyl)sulfanylpropanoic acid
N-Acetyl[5-(acetylamino)-2-hydroxyphenyl]cysteine #
l-Cysteine, N-acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-
paracetamol N-acetyl-L-cysteine conjugate
3-((5-ACETAMIDO-2-HYDROXYPHENYL)THIO)-N-ACETYLALANINE
3-(N-acetyl-L-cystein-S-yl)acetaminophen
acetaminophen mercapturic acid
N-(1-Hydroxyethylidene)-S-{2-hydroxy-5-[(1-hydroxyethylidene)amino]phenyl}cysteine
Q27287959
DVPRQNKJGQEICH-JTQLQIEISA-N
R86SEU3G6U
52372-86-8
N-acetyl-L-cysteine S-acetaminophen conjugate
3-(N-acetyl-L-cystein-S-yl) acetaminophen
N-acetyl-L-cysteine S-paracetamol conjugate
acetaminophen N-acetyl-L-cysteine conjugate
AKOS028112412
L-Cysteine, N-acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine
Acetaminophen mercapturate
Acetaminophen-2-mercapturate
3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT
PD057008
L-Cysteine,N-acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-

MDL Number

MFCD07357246

FAQ

What is Acetaminophen Mercapturate (CAS: 52372-86-8)?

Acetaminophen mercapturate is a compound derived from acetaminophen, commonly used in research and pharmaceutical applications due to its unique properties. It has a molecular formula of C14H17NO2S. This compound is characterized by its reduced form of acetaminophen, which can be used for various medicinal and analytical purposes.

What are the main uses of Acetaminophen Mercapturate (CAS: 52372-86-8)?

Acetaminophen mercapturate is primarily used in pharmaceutical research, particularly for preparing prodrugs and studying the metabolism of acetaminophen. It also finds use in analytical chemistry as a reagent for detecting and quantifying acetaminophen derivatives.

Is Acetaminophen Mercapturate (CAS: 52372-86-8) safe?

Acetaminophen mercapturate is generally considered safe when handled and used as directed. However, it should be stored away from direct sunlight and kept in a cool, dry place. It is important to follow safety guidelines to avoid any potential hazards.

How should Acetaminophen Mercapturate (CAS: 52372-86-8) be stored?

Acetaminophen mercapturate should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Proper storage conditions are crucial to maintain its stability and effectiveness.