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Substance Name: Acetic acid, ((2,4-dichlorophenyl)sulfonyl)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
RN: 102582-96-7
InChIKey: VFLJQTRTWFKESS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-Cl2-O4-S.C6-H15-N-O3

Molecular Weight

  • 418.292
 
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Names and Synonyms

Synonyms

  • ((2,4-Dichlorophenyl)sulfonyl)acetic acid compd. with 2,2',2''-nitrilotrisethanol (1:1)
  • ((2,4-Dichlorophenyl)sulfonyl)acetic acid triethanolamine

Systematic Name

  • Acetic acid, ((2,4-dichlorophenyl)sulfonyl)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)

Registry Numbers

CAS Registry Number

  • 102582-96-7

System Generated Number

  • 0102582967

Molecular Formulas

Molecular Formula

  • C8-H6-Cl2-O4-S.C6-H15-N-O3

Molecular Formula Fragments

  • C6-H15-N-O3
  • C8-H6-Cl2-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H6Cl2O4S.C6H15NO3/c9-5-1-2-7(6(10)3-5)15(13,14)4-8(11)12;8-4-1-7(2-5-9)3-6-10/h1-3H,4H2,(H,11,12);8-10H,1-6H2

InChIKey

VFLJQTRTWFKESS-UHFFFAOYSA-N

Smiles

c1(ccc(cc1Cl)Cl)S(CC(O)=O)(=O)=O.N(CCO)(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.