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Substance Name: 2-Gluthionyl-3,5,6-trichloro-1,4-benzoquinone
RN: 117383-28-5
InChIKey: WGAYQHYSLBCCLN-WDSKDSINSA-N

Note

  • Glutathione conjugate of tetrachloro-1,4-benzoquinone; irreversibly inhibits glutathione S-transferase.

Molecular Formula

  • C16-H16-Cl3-N3-O8-S

Molecular Weight

  • 516.74
 
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Names and Synonyms

Name of Substance

  • 2-Gluthionyl-3,5,6-trichloro-1,4-benzoquinone

Synonyms

  • 2,5,6-Trichloro-3-(glutathion-S-yl)-1,4-benzoquinone
  • 2-(S-Glutathionyl)-3,5,6-trichloro-1,4-benzoquinone
  • GS-1,4-Tcbq

Systematic Name

  • Glycine, N-(N-L-gamma-glutamyl-S-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-cysteinyl)-

Registry Numbers

CAS Registry Number

  • 117383-28-5

System Generated Number

  • 0117383285

Structure Descriptors

InChI

1S/C16H16Cl3N3O8S/c17-9-10(18)13(27)14(11(19)12(9)26)31-4-6(15(28)21-3-8(24)25)22-7(23)2-1-5(20)16(29)30/h5-6H,1-4,20H2,(H,21,28)(H,22,23)(H,24,25)(H,29,30)/t5-,6-/m0/s1

InChIKey

WGAYQHYSLBCCLN-WDSKDSINSA-N

Smiles

ClC1=C(C(=O)C(SC[C@H](NC(CC[C@@H](C(O)=O)N)=O)C(=O)NCC(O)=O)=C(Cl)C1=O)Cl