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Substance Name: 3-Pyrazolin-5-one, 1,2-diphenyl-3-hydroxy-4-(3-oxobutyl)-, benzoate (ester)
RN: 16006-73-8
InChIKey: WLUQXCUDFMPPSW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H22-N2-O4

Molecular Weight

  • 426.47
 
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Names and Synonyms

Synonyms

  • 1,2-Diphenyl-3-hydroxy-4-(3-oxobutyl)-3-pyrazolin-5-one benzoate
  • 5-25-02-00502 (Beilstein Handbook Reference)
  • Benzoate de gamma-ceto-phenyl-butazone
  • Benzoate de gamma-ceto-phenyl-butazone [French]
  • BRN 0902579
  • VUFB4685

Systematic Names

  • 3-Pyrazolin-5-one, 1,2-diphenyl-3-hydroxy-4-(3-oxobutyl)-, benzoate (ester)
  • 3H-Pyrazol-3-one, 5-(benzoyloxy)-1,2-dihydro-4-(3-oxobutyl)-1,2-diphenyl- (9CI)

Registry Numbers

CAS Registry Number

  • 16006-73-8

System Generated Number

  • 0016006738

Structure Descriptors

InChI

1S/C26H22N2O4/c1-19(29)17-18-23-24(30)27(21-13-7-3-8-14-21)28(22-15-9-4-10-16-22)25(23)32-26(31)20-11-5-2-6-12-20/h2-16H,17-18H2,1H3

InChIKey

WLUQXCUDFMPPSW-UHFFFAOYSA-N

Smiles

n1(n(c(c(c1OC(c1ccccc1)=O)CCC(C)=O)=O)c1ccccc1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2319mg/kg (2319mg/kg)   Chimica Therapeutica. Vol. 2, Pg. 272, 1967.