Molecule: S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate
An S-substituted N-acetyl-L-cysteine that is the conjugate base of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms for S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate :
3-(N-acetyl-L-cystein-S-yl)acetaminophen(1-)
N-acetyl-L-cysteinate S-acetaminophen conjugate
N-acetyl-L-cysteinate S-paracetamol conjugate
N-acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine(1-)
acetaminophen N-acetyl-L-cysteinate conjugate
acetaminophen mercapturate
paracetamol N-acetyl-L-cysteinate conjugate
Molecular Formula: C13H15N2O5S
Molecular wt: 311.335 g/mole
Charge: -1
SMILES: C=1(C=C(C=CC1O)NC(=O)C)SC[C@@H](C([O-])=O)NC(=O)C
InChIKey: DVPRQNKJGQEICH-JTQLQIEISA-M
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)/p-1/t10-/m0/s1
Sample reactions for this molecule: