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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16N2O4S
Molecular Weight 296.342
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Paracetamol mercapturate

SMILES

CC(=O)N[C@@H](CS)C(=O)OC1=CC=C(NC(C)=O)C=C1

InChI

InChIKey=NTEYFNUDSXITGC-LBPRGKRZSA-N
InChI=1S/C13H16N2O4S/c1-8(16)14-10-3-5-11(6-4-10)19-13(18)12(7-20)15-9(2)17/h3-6,12,20H,7H2,1-2H3,(H,14,16)(H,15,17)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H16N2O4S
Molecular Weight 296.342
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:21:28 GMT 2025
Edited
by admin
on Wed Apr 02 17:21:28 GMT 2025
Record UNII
Y8J26VL3UA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-Cysteine, N-acetyl-, 4-(acetylamino)phenyl ester
Preferred Name English
Paracetamol mercapturate
Common Name English
N-Acetyl-L-cysteine 4-(acetylamino)phenyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
Y8J26VL3UA
Created by admin on Wed Apr 02 17:21:28 GMT 2025 , Edited by admin on Wed Apr 02 17:21:28 GMT 2025
PRIMARY
PUBCHEM
171471
Created by admin on Wed Apr 02 17:21:28 GMT 2025 , Edited by admin on Wed Apr 02 17:21:28 GMT 2025
PRIMARY
CAS
55748-93-1
Created by admin on Wed Apr 02 17:21:28 GMT 2025 , Edited by admin on Wed Apr 02 17:21:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID20204306
Created by admin on Wed Apr 02 17:21:28 GMT 2025 , Edited by admin on Wed Apr 02 17:21:28 GMT 2025
PRIMARY