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Substance Name: Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
RN: 102582-86-5
InChIKey: VHHHJXGQUPSILG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-O2-S.C6-H15-N-O3

Molecular Weight

  • 317.404
 
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Names and Synonyms

Synonyms

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

Systematic Name

  • Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)

Registry Numbers

CAS Registry Number

  • 102582-86-5

System Generated Number

  • 0102582865

Molecular Formulas

Molecular Formula

  • C8-H8-O2-S.C6-H15-N-O3

Molecular Formula Fragments

  • C6-H15-N-O3
  • C8-H8-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H8O2S.C6H15NO3/c9-8(10)6-11-7-4-2-1-3-5-7;8-4-1-7(2-5-9)3-6-10/h1-5H,6H2,(H,9,10);8-10H,1-6H2

InChIKey

VHHHJXGQUPSILG-UHFFFAOYSA-N

Smiles

N(CCO)(CCO)CCO.c1(SCC(O)=O)ccccc1

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.