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Substance Name: Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'',2'''-nitrilotris(ethanol) (1:1)
RN: 102582-90-1
InChIKey: SMEYVEUDNNKFIH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N-O4-S.C6-H15-N-O3

Molecular Weight

  • 362.401
 
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Names and Synonyms

Synonyms

  • ((4-Nitrophenyl)thio)acetic acid 2,2'',2'''-nitrilotris(ethanol) (1:1)
  • Acetic acid, ((p-(ntirophenyl)thio)-, compd. with 2,2'',2'''-nitrilotrisethanol) (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102582-90-1

System Generated Number

  • 0102582901

Molecular Formulas

Molecular Formula

  • C8-H7-N-O4-S.C6-H15-N-O3

Molecular Formula Fragments

  • C6-H15-N-O3
  • C8-H7-N-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H7NO4S.C6H15NO3/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13;8-4-1-7(2-5-9)3-6-10/h1-4H,5H2,(H,10,11);8-10H,1-6H2

InChIKey

SMEYVEUDNNKFIH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 180, 1986.