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Substance Name: S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione
RN: 122652-97-5
InChIKey: KDFMEOFBRCYNKT-BURXGOFRSA-N

Note

  • Metabolite of 1,1,2-trichloro-3,3,3-trifluoro-1-propene.

Molecular Formula

  • C13-H16-Cl2-F3-N3-O6-S

Molecular Weight

  • 470.2504
 
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Names and Synonyms

Name of Substance

  • S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione

Synonym

  • Dctfpg

Systematic Name

  • Glycine, N-(S-(1,2-dichloro-3,3,3-trifluoro-1-propenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 122652-97-5

System Generated Number

  • 0122652975

Structure Descriptors

InChI

1S/C13H16Cl2F3N3O6S/c14-9(13(16,17)18)10(15)28-4-6(20)11(25)21(3-8(23)24)7(22)2-1-5(19)12(26)27/h5-6H,1-4,19-20H2,(H,23,24)(H,26,27)/b10-9-/t5-,6-/m0/s1

InChIKey

KDFMEOFBRCYNKT-BURXGOFRSA-N

Smiles

C(CC(=O)N(CC(=O)O)C(=O)[C@H](CS/C(=C(/C(F)(F)F)\Cl)/Cl)N)[C@@H](C(=O)O)N