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Substance Name: Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt
RN: 59173-51-2
InChIKey: BOADHFWZANABKF-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H12-N2-O11-S3.3Na

Molecular Weight

  • 634.5047
 
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Names and Synonyms

Synonym

  • Sodium salt of enol-1,2,4-tri-(N-sulphophenyl)-3,5-dioxopyrazolidine

Systematic Name

  • Benzenesulfonic acid, 4,4',4''-(5-hydroxy-3-oxo-1H-pyrazole-1,2,4(3H)-triyl)tris-, trisodium salt

Registry Numbers

CAS Registry Number

  • 59173-51-2

System Generated Number

  • 0059173512

Molecular Formulas

Molecular Formula

  • C21-H12-N2-O11-S3.3Na

Molecular Formula Fragments

  • C21-H12-N2-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H16N2O11S3.3Na/c24-20-19(13-1-7-16(8-2-13)35(26,27)28)21(25)23(15-5-11-18(12-6-15)37(32,33)34)22(20)14-3-9-17(10-4-14)36(29,30)31;;;/h1-12,24H,(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3

InChIKey

BOADHFWZANABKF-UHFFFAOYSA-K

Smiles

c1cc(ccc1c2c(n(n(c2=O)c3ccc(cc3)S(=O)(=O)[O-])c4ccc(cc4)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 2055mg/kg (2055mg/kg)   Russian Pharmacology and Toxicology Vol. 39, Pg. 58, 1976.