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Substance Name: 3-(Glutathion-S-yl)acetaminophen
RN: 64889-81-2
UNII: T3YTW02XCU
InChIKey: VFNAXGMNFCUWCI-RYUDHWBXSA-N

Note

  • Biliary metabolite of acetaminophen.

Molecular Formula

  • C18-H24-N4-O8-S

Molecular Weight

  • 456.474
 
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Names and Synonyms

Name of Substance

  • 3-(Glutathion-S-yl)acetaminophen

Synonyms

  • 3-Gsh-acetaminophen
  • AA-Glutathion
  • AA-Gsh
  • Acetaminophen glutathion
  • Glutathione-S-acetaminophen conjugate
  • N-(S-(5-(Acetylamino)-2-hydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinylglycine
  • UNII-T3YTW02XCU

Systematic Name

  • Glycine, N-(S-(5-(acetylamino)-2-hydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)-

Registry Numbers

CAS Registry Number

  • 64889-81-2

FDA UNII

  • T3YTW02XCU

System Generated Number

  • 0064889812

Structure Descriptors

InChI

1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1

InChIKey

VFNAXGMNFCUWCI-RYUDHWBXSA-N

Smiles

Oc1ccc(NC(=O)C)cc1SC[C@@H](C(=O)NCC(O)=O)NC(CC[C@@H](C(O)=O)N)=O