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Substance Name: Pemoline-dione
RN: 5841-63-4
UNII: R4IZ4GP09U
InChIKey: SBYYYVAMWBVIIX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-N-O3

Molecular Weight

  • 177.1583
 
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Names and Synonyms

Name of Substance

  • Pemoline-dione

Synonyms

  • 4-27-00-03335 (Beilstein Handbook Reference)
  • 5-Phenyl-2,4-oxazolidinedione
  • BRN 0152852
  • NSC 27303
  • Pemoline-dione
  • UNII-R4IZ4GP09U

Systematic Name

  • 2,4-Oxazolidinedione, 5-phenyl-

Registry Numbers

CAS Registry Number

  • 5841-63-4

FDA UNII

  • R4IZ4GP09U

System Generated Number

  • 0005841634

Structure Descriptors

InChI

1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)

InChIKey

SBYYYVAMWBVIIX-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2C(=O)NC(=O)O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 572mg/kg (572mg/kg)   Pharmacological and Biochemical Properties of Drug Substances. Vol. 1, Pg. 33, 1977.
mouse LD50 oral 1516mg/kg (1516mg/kg)   Pharmacological and Biochemical Properties of Drug Substances. Vol. 1, Pg. 33, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 5.46 (none) 23 EXP
log P (octanol-water) 1.09 (none)   EXP
Water Solubility 6670 mg/L 25 EST
Vapor Pressure 3.94E-08 mm Hg 25 EST
Henry's Law Constant 3.86E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.18E-11 cm3/molecule-sec 25 EST

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