Acetaminophen mercapturate

CAS Registry Number®

52372-86-8

CAS Name

Acetaminophen mercapturate

Molecular Formula

C13H16N2O5S

Molecular Mass

312.34

Cite this Page

Acetaminophen mercapturate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52372-86-8 (retrieved 2024-11-21) (CAS RN: 52372-86-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=DVPRQNKJGQEICH-JTQLQIEISA-N

SMILES

S(C[C@H](NC(C)=O)C(O)=O)C1=CC(NC(C)=O)=CC=C1O

Canonical SMILES

O=C(O)C(NC(=O)C)CSC1=CC(=CC=C1O)NC(=O)C

Other Names for this Substance

  • L-Cysteine, N-acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-
  • N-Acetyl-S-[5-(acetylamino)-2-hydroxyphenyl]-L-cysteine
  • 3-[(5-Acetamido-2-hydroxyphenyl)thio]-N-acetylalanine
  • Acetaminophen mercapturate
  • Paracetamol mercapturate

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Deleted or Replaced CAS Registry Numbers

116169-17-6, 119738-53-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration