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Substance Name: Acetic acid, (4,4'-biphenylylenedithio)di-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
RN: 87298-97-3
InChIKey: UDLUOVWZNDBGDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O4-S2.2C6-H15-N-O3

Molecular Weight

  • 632.7916
 
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Names and Synonyms

Synonym

  • (4,4'-Biphenylylenedithio)diacetic acid 2,2',2''-nitrilotriethanol salt (1:2)

Systematic Name

  • Acetic acid, (4,4'-biphenylylenedithio)di-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)

Registry Numbers

CAS Registry Number

  • 87298-97-3

System Generated Number

  • 0087298973

Molecular Formulas

Molecular Formula

  • C16-H14-O4-S2.2C6-H15-N-O3

Molecular Formula Fragments

  • C16-H14-O4-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C16H14O4S2.2C6H15NO3/c17-15(18)9-21-13-5-1-11(2-6-13)12-3-7-14(8-4-12)22-10-16(19)20;2*8-4-1-7(2-5-9)3-6-10/h1-8H,9-10H2,(H,17,18)(H,19,20);2*8-10H,1-6H2

InChIKey

UDLUOVWZNDBGDC-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2ccc(cc2)SCC(=O)O)SCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Russian Pharmacology and Toxicology Vol. 46, Pg. 150, 1983.