Acetaminophen mercapturate

(2R)-2-acetamido-3-(5-acetamido-2-hydroxyphenyl)sulfanylpropanoic acid

Also Known As: Acetaminophen mercapturate|Paracetamol mercapturate|Acetaminophen-2-mercapturate|3-(N-acetyl-L-cystein-S-yl) acetaminophen|acetaminophen mercapturic acid|2-hydroxyphenyl)sulfanylpropanoic acid|l-Cysteine, N-acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-|S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine|paracetamol N-acetyl-L-cysteine conjugate|3-(N-acetyl-L-cystein-S-yl)acetaminophen|acetaminophen N-acetyl-L-cysteine conjugate|N-acetyl-L-cysteine S-paracetamol conjugate|N-acetyl-L-cysteine S-acetaminophen conjugate|N-Acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine|(2R)-2-acetamido-3-(5-acetamido-2-hydroxyphenyl)sulfanylpropanoic acid|N-Acetyl-2-(N-acetyl-L-S-cysteinyl)-4-aminophenol|N-Acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-L-Cysteine|L-Cysteine, N-acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-|N-Acetyl[5-(acetylamino)-2-hydroxyphenyl]cysteine #|3-(N-Acetyl-L-cystein-S-yl) Acetaminophen Sodium Salt|3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT|3-[(5-Acetamido-2-hydroxyphenyl)thio]-N-acetylalanine|N-Acetyl-S-[2-hydroxy-5-(acetylamino)phenyl]-L-cysteine|3-(N-ACETYL-L-CYSTEIN-S-YL)ACETAMINOPHEN SODIUM SALT|(2R)-2-acetamido-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-propanoic acid|(2R)-2-acetamido-3-[(5-acetamido-2-hydroxyphenyl)sulfanyl]propanoic acid|N-(1-Hydroxyethylidene)-S-{2-hydroxy-5-[(1-hydroxyethylidene)amino]phenyl}-L-cysteine

Molecular Formula	C13H16N2O5S
Molecular Weight	312.078 g/mol
LogP	1.03
Topological Polar Surface Area	115.73 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	312.078
Heavy Atoms	21
Complexity	561.5

Chemical Identifiers

CAS Number	52372-86-8
SMILES	CC(=O)NC1=CC(=C(C=C1)O)SC[C@@H](C(=O)O)NC(=O)C