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Substance Name: Acetic acid, (m-phenylenedithio)di-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
RN: 87299-02-3
InChIKey: RCMKDDAHAROQBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-O4-S2.2C6-H15-N-O3

Molecular Weight

  • 556.694
 
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Names and Synonyms

Synonym

  • (m-Phenylenedithio)diacetic acid 2,2',2''-nitrilotriethanol salt (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87299-02-3

System Generated Number

  • 0087299023

Molecular Formulas

Molecular Formula

  • C10-H10-O4-S2.2C6-H15-N-O3

Molecular Formula Fragments

  • C10-H10-O4-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C10H10O4S2.2C6H15NO3/c11-9(12)5-15-7-2-1-3-8(4-7)16-6-10(13)14;2*8-4-1-7(2-5-9)3-6-10/h1-4H,5-6H2,(H,11,12)(H,13,14);2*8-10H,1-6H2

InChIKey

RCMKDDAHAROQBY-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)SCC(O)=O)SCC(O)=O.N(CCO)(CCO)CCO.N(CCO)(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANALGESIA
Russian Pharmacology and Toxicology Vol. 46, Pg. 150, 1983.