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Substance Name: S-(2-Bromo-2-chloro-1,1-difluoroethyl)glutathione
RN: 142628-07-7
InChIKey: OTVNACHPZVGLNB-KNNPZSQVSA-N

Note

  • Putative intermediate in the metabolism of 2-bromo-2-chloro-1,1-difluoroethene.

Molecular Formula

  • C12-H17-Br-Cl-F2-N3-O6-S

Molecular Weight

  • 484.7003
 
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Names and Synonyms

Name of Substance

  • S-(2-Bromo-2-chloro-1,1-difluoroethyl)glutathione

Synonym

  • BCDFG

Systematic Name

  • Glycine, N-(S-(2-bromo-2-chloro-1,1-difluoroethyl)-N-L-gamma-glutamyl-L-cysteinyl)-

Registry Numbers

CAS Registry Number

  • 142628-07-7

System Generated Number

  • 0142628077

Structure Descriptors

InChI

1S/C12H17BrClF2N3O6S/c13-11(14)12(15,16)26-4-6(10(25)18-3-8(22)23)19-9(24)5(17)1-2-7(20)21/h5-6,11H,1-4,17H2,(H,18,25)(H,19,24)(H,20,21)(H,22,23)/t5-,6-,11?/m0/s1

InChIKey

OTVNACHPZVGLNB-KNNPZSQVSA-N

Smiles

C(CC(=O)O)[C@@H](C(=O)N[C@@H](CSC(C(Cl)Br)(F)F)C(=O)NCC(=O)O)N