Chemical identity

Acetaminophen Mercapturate

CAS 52372-86-8 · C₁₃H₁₆N₂O₅S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-04738
PubChem CID83967
NameAcetaminophen Mercapturate
CAS RN52372-86-8
Molecular formulaC₁₃H₁₆N₂O₅S
Molecular weight312.34 g/mol
IUPAC nameS-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine
InChIKeyDVPRQNKJGQEICH-JTQLQIEISA-N

02Structure identifiers

2D structurePubChem CID 83967
Two-dimensional chemical structure of Acetaminophen Mercapturate, CAS 52372-86-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)NC1=CC(=C(C=C1)O)SC[C@@H](C(=O)O)NC(=O)C
InChINot listed
Formula from structureC₁₃H₁₆N₂O₅S
Molecular weight from structure312.34 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 52372-86-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 52372-86-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Acetaminophen

View API and impurity family

Other names

  • l-Cysteine, N-acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-
  • 3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN
  • Acetaminophen-2-mercapturate
  • N-Acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine
  • acetaminophen mercapturic acid
  • paracetamol N-acetyl-L-cysteine conjugate
  • acetaminophen N-acetyl-L-cysteine conjugate
  • N-(1-Hydroxyethylidene)-S-{2-hydroxy-5-[(1-hydroxyethylidene)amino]phenyl}cysteine
  • Acetaminophen mercapturate
  • 52372-86-8
  • R86SEU3G6U
  • RefChem:914957

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources