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Substance Name: Acetic acid, ((alpha,alpha,alpha-trifluoro-p-tolyl)thio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
RN: 102582-94-5
InChIKey: JCEBPXMDFOQMSH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-F3-O2-S.C6-H15-N-O3

Molecular Weight

  • 385.4008
 
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Names and Synonyms

Synonyms

  • (p-Trifluoromethylphenylthio)acetic acid triethanolamine
  • Acetic acid, ((4-(trifluoromethyl)phenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol)
  • Ethanol, 2,2',2''-nitrilotris-, ((4-(trifluoromethyl)phenyl)thio)acetate

Systematic Name

  • Acetic acid, ((alpha,alpha,alpha-trifluoro-p-tolyl)thio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)

Registry Numbers

CAS Registry Number

  • 102582-94-5

System Generated Number

  • 0102582945

Molecular Formulas

Molecular Formula

  • C9-H7-F3-O2-S.C6-H15-N-O3

Molecular Formula Fragments

  • C6-H15-N-O3
  • C9-H7-F3-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H7F3O2S.C6H15NO3/c10-9(11,12)6-1-3-7(4-2-6)15-5-8(13)14;8-4-1-7(2-5-9)3-6-10/h1-4H,5H2,(H,13,14);8-10H,1-6H2

InChIKey

JCEBPXMDFOQMSH-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(F)(F)F)SCC(=O)O.C(CO)N(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 900mg/kg (900mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 20, Pg. 291, 1986.