3-(Glutathion-S-yl)acetaminophen

CAS Registry Number®

64889-81-2
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CAS Name

3-(Glutathion-S-yl)acetaminophen

Molecular Formula

C18H24N4O8S

Molecular Mass

456.47

Cite this Page

3-(Glutathion-S-yl)acetaminophen.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64889-81-2 (retrieved 2024-05-04) (CAS RN: 64889-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=VFNAXGMNFCUWCI-RYUDHWBXSA-N

SMILES

S(C[C@H](NC(CC[C@@H](C(O)=O)N)=O)C(NCC(O)=O)=O)C1=CC(NC(C)=O)=CC=C1O

Canonical SMILES

O=C(O)CNC(=O)C(NC(=O)CCC(N)C(=O)O)CSC1=CC(=CC=C1O)NC(=O)C

Other Names for this Substance

  • Glycine, L-γ-glutamyl-S-[5-(acetylamino)-2-hydroxyphenyl]-L-cysteinyl-
  • Glycine, N-[S-[5-(acetylamino)-2-hydroxyphenyl]-N-L-γ-glutamyl-L-cysteinyl]-
  • L-γ-Glutamyl-S-[5-(acetylamino)-2-hydroxyphenyl]-L-cysteinylglycine
  • 3-(Glutathion-S-yl)acetaminophen
  • Acetaminophen-glutathione adduct

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Deleted or Replaced CAS Registry Numbers

93391-27-6, 113236-34-3, 1315477-07-6

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