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Substance Name: Benzenesulfonic acid, p-(3-phenyl-1-pyrazolyl)-
RN: 78109-90-7
InChIKey: XMHHOLDDDWYHBK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-N2-O3-S

Molecular Weight

  • 300.3368
 
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Names and Synonyms

Synonyms

  • 1-(p-Sulfophenyl)-3-phenyl-pyrazol
  • 1-(p-Sulfophenyl)-3-phenyl-pyrazol [German]
  • 5-23-07-00181 (Beilstein Handbook Reference)
  • BRN 0961679
  • p-(3-Phenyl-1-pyrazolyl)benzenesulfonic acid
  • Pyrazole, 3-phenyl-1-(p-sulfophenyl)-

Systematic Name

  • Benzenesulfonic acid, p-(3-phenyl-1-pyrazolyl)-

Registry Numbers

CAS Registry Number

  • 78109-90-7

System Generated Number

  • 0078109907

Structure Descriptors

InChI

1S/C15H12N2O3S/c18-21(19,20)14-8-6-13(7-9-14)17-11-10-15(16-17)12-4-2-1-3-5-12/h1-11H,(H,18,19,20)

InChIKey

XMHHOLDDDWYHBK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccn(n2)c3ccc(cc3)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 490mg/kg (490mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 249, 1954.
mouse LD50 subcutaneous 982mg/kg (982mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 249, 1954.