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Substance Name: Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
RN: 87298-95-1
InChIKey: NWGABUNPARSMIM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H6-O4-S.2C6-H15-N-O3

Molecular Weight

  • 448.53
 
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Names and Synonyms

Synonyms

  • Thiodiacetic acid 2,2',2''-nitrilotriethanol salt (1:2)
  • Thiodiacetic acid triethanolamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87298-95-1

System Generated Number

  • 0087298951

Molecular Formulas

Molecular Formula

  • C4-H6-O4-S.2C6-H15-N-O3

Molecular Formula Fragments

  • C4-H6-O4-S
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/2C6H15NO3.C4H6O4S/c2*8-4-1-7(2-5-9)3-6-10;5-3(6)1-9-2-4(7)8/h2*8-10H,1-6H2;1-2H2,(H,5,6)(H,7,8)

InChIKey

NWGABUNPARSMIM-UHFFFAOYSA-N

Smiles

[NH+](CCO)(CCO)CCO.[NH+](CCO)(CCO)CCO.S(CC(=O)[O-])CC(=O)[O-]

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.
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Russian Pharmacology and Toxicology Vol. 46, Pg. 150, 1983.