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Substance Name: Acetaminophen mercapturate
RN: 52372-86-8
UNII: R86SEU3G6U
InChIKey: DVPRQNKJGQEICH-JTQLQIEISA-N

Molecular Formula

  • C13-H16-N2-O5-S

Molecular Weight

  • 312.344
 
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Names and Synonyms

Name of Substance

  • Acetaminophen mercapturate

Synonyms

  • N-Acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine
  • UNII-R86SEU3G6U

Systematic Name

  • L-Cysteine, N-acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 52372-86-8

FDA UNII

  • R86SEU3G6U

System Generated Number

  • 0052372868

Structure Descriptors

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

DVPRQNKJGQEICH-JTQLQIEISA-N

Smiles

N(C(=O)C)[C@@H](CSc1c(ccc(NC(=O)C)c1)O)C(=O)O