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Substance Name: 1,2-Diphenyl-3,5-pyrazolidinedione
RN: 2652-77-9
InChIKey: XDPKQGKEOCYMQC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-N2-O2

Molecular Weight

  • 252.2718
 
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Names and Synonyms

Name of Substance

  • 1,2-Diphenyl-3,5-pyrazolidinedione

Synonyms

  • 1,2-Diphenyl-3,5-dioxopyrazolidin
  • 1,2-Diphenyl-3,5-dioxopyrazolidin [German]
  • 1,2-Diphenyl-3,5-pyrazolidinedione
  • 5-24-05-00186 (Beilstein Handbook Reference)
  • BRN 0210835
  • DA 339
  • Difenildichetopirazolidina
  • Difenildichetopirazolidina [Italian]
  • Diphenyldiketopyrazolidine
  • G 14744

Systematic Name

  • 3,5-Pyrazolidinedione, 1,2-diphenyl-

Registry Numbers

CAS Registry Number

  • 2652-77-9

System Generated Number

  • 0002652779

Structure Descriptors

InChI

1S/C15H12N2O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2

InChIKey

XDPKQGKEOCYMQC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N2C(=O)CC(=O)N2c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 574mg/kg (574mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 536, 1967.
rat LD50 intraperitoneal 338mg/kg (338mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 132, Pg. 16, 1961.
rat LD50 oral 1gm/kg (1000mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 536, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.45 (none)   EXP
Water Solubility 1330 mg/L 25 EST
Vapor Pressure 6.16E-09 mm Hg 25 EST
Henry's Law Constant 2.11E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.52E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.