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Substance Name: Acetic acid, ((p-bromophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 87298-90-6
InChIKey: HJNRMJOXVCOCJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Br-O2-S.C6-H15-N-O3

Molecular Weight

  • 396.3
 
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Names and Synonyms

Synonym

  • ((p-Bromophenyl)thio)acetic acid 2,2',2''-nitrilotriethanol salt

Systematic Name

  • Acetic acid, ((p-bromophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 87298-90-6

System Generated Number

  • 0087298906

Molecular Formulas

Molecular Formula

  • C8-H7-Br-O2-S.C6-H15-N-O3

Molecular Formula Fragments

  • C6-H15-N-O3
  • C8-H7-Br-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H7BrO2S.C6H15NO3/c9-6-1-3-7(4-2-6)12-5-8(10)11;8-4-1-7(2-5-9)3-6-10/h1-4H,5H2,(H,10,11);8-10H,1-6H2

InChIKey

HJNRMJOXVCOCJL-UHFFFAOYSA-N

Smiles

c1(ccc(Br)cc1)SCC(=O)[O-].[NH+](CCO)(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Russian Pharmacology and Toxicology Vol. 46, Pg. 150, 1983.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Russian Pharmacology and Toxicology Vol. 46, Pg. 150, 1983.