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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14N2O4S
Molecular Weight 270.305
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CYSTEINYLACETAMINOPHEN

SMILES

CC(=O)NC1=CC=C(O)C(SC[C@H](N)C(O)=O)=C1

InChI

InChIKey=LLHICPSCVFRWDT-QMMMGPOBSA-N
InChI=1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/t8-/m0/s1

HIDE SMILES / InChI
Molecular Formula C11H14N2O4S
Molecular Weight 270.305
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:19:51 GMT 2025
Edited
by admin
on Mon Mar 31 19:19:51 GMT 2025
Record UNII
6Q2X58Y8BP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(CYSTEIN-S-YL)PARACETAMOL
Preferred Name English
3-CYSTEINYLACETAMINOPHEN
Common Name English
S-(5-ACETAMIDO-2-HYDROXYPHENYL)CYSTEINE
Systematic Name English
PARACETAMOL-CYSTEINE
Systematic Name English
L-CYSTEINE, S-(5-(ACETYLAMINO)-2-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
CHEBI
133066
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
MESH
C063450
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
PUBCHEM
171264
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID70201608
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
FDA UNII
6Q2X58Y8BP
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
CAS
53446-10-9
Created by admin on Mon Mar 31 19:19:51 GMT 2025 , Edited by admin on Mon Mar 31 19:19:51 GMT 2025
PRIMARY
Related Record Type Details
Structure of 3-Cysteinylacetaminophen trifluoroacetic acid salt
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of Acetaminophen
PARENT -> METABOLITE INACTIVE
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