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Substance Name: N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine
RN: 57596-70-0
InChIKey: FFSXNJGWJHTJHD-UHFFFAOYSA-N

Note

  • Urinary metabolite of halothane in man.

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H9-Br-Cl-F2-N-O3-S

Molecular Weight

  • 340.571
 
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Names and Synonyms

Name of Substance

  • N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine

Synonyms

  • BRN 4807550
  • N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine
  • N-Acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L-cysteine

Systematic Name

  • Alanine, N-acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)-, L-

Registry Numbers

CAS Registry Number

  • 57596-70-0

System Generated Number

  • 0057596700

Structure Descriptors

InChI

1S/C7H9BrClF2NO3S/c1-3(13)12-4(5(14)15)2-16-7(10,11)6(8)9/h4,6H,2H2,1H3,(H,12,13)(H,14,15)

InChIKey

FFSXNJGWJHTJHD-UHFFFAOYSA-N

Smiles

C([C@@H](NC(C)=O)C(O)=O)SC([C@@H](Cl)Br)(F)F