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Substance Name: Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt
RN: 59173-50-1
InChIKey: VJHQYZLXWQQOFU-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-N2-O8-S2.3Na

Molecular Weight

  • 534.4513
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Benzenesulfonic acid, 4,4'-(4-butyl-5-hydroxy-3-oxo-1H-pyrazole-1,2(3H)-diyl)bis-, trisodium salt

Registry Numbers

CAS Registry Number

  • 59173-50-1

System Generated Number

  • 0059173501

Molecular Formulas

Molecular Formula

  • C19-H17-N2-O8-S2.3Na

Molecular Formula Fragments

  • C19-H17-N2-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H20N2O8S2.3Na/c1-2-3-4-17-18(22)20(13-5-9-15(10-6-13)30(24,25)26)21(19(17)23)14-7-11-16(12-8-14)31(27,28)29;;;/h5-12,22H,2-4H2,1H3,(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3

InChIKey

VJHQYZLXWQQOFU-UHFFFAOYSA-K

Smiles

CCCCc1c(n(n(c1=O)c2ccc(cc2)S(=O)(=O)[O-])c3ccc(cc3)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 2979mg/kg (2979mg/kg)   Russian Pharmacology and Toxicology Vol. 39, Pg. 58, 1976.