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Substance Name: Phenallymal
RN: 115-43-5
UNII: 7T7L08Q9JI
InChIKey: WOIGZSBYKGQJGL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N2-O3

Molecular Weight

  • 244.2488
 
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Names and Synonyms

Name of Substance

  • Phenallymal

Synonyms

  • 5-24-09-00334 (Beilstein Handbook Reference)
  • 5-Allyl-5-phenylbarbituric acid
  • 5-Allyl-5-phenylbarbitursaeure
  • 5-Phenyl-5-allylbarbituric acid
  • Acido 5-fenil-5-allilbarbiturico
  • Acido 5-fenil-5-allilbarbiturico [Italian]
  • Allofenyl
  • Allophenylum
  • Alphasem
  • Alpheba
  • Alphenal
  • Alphenate
  • BRN 0227510
  • EINECS 204-089-9
  • Fenallymal
  • Phenallymal
  • Phenallymalum
  • Prophenal
  • Tubergal
  • UNII-7T7L08Q9JI

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-5-(2-propenyl)- (9CI)
  • 5-Allyl-5-phenylbarbituric acid
  • Barbituric acid, 5-allyl-5-phenyl-

Registry Numbers

CAS Registry Number

  • 115-43-5

FDA UNII

  • 7T7L08Q9JI

System Generated Number

  • 0000115435

Structure Descriptors

InChI

1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)

InChIKey

WOIGZSBYKGQJGL-UHFFFAOYSA-N

Smiles

C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 265mg/kg (265mg/kg)   Farmaco, Edizione Scientifica. Vol. 17, Pg. 390, 1962.
mouse LD50 oral 280mg/kg (280mg/kg)   Farmaco, Edizione Scientifica. Vol. 17, Pg. 390, 1962.
rat LD50 intraperitoneal 233mg/kg (233mg/kg)   Svensk Farmaceutisk Tidskrift. Swedish Journal of Pharmacy. Vol. 56, Pg. 31, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 156.5 deg C   EXP
log P (octanol-water) 1.69 (none)   EXP
Water Solubility 1720 mg/L 25 EXP
Vapor Pressure 9.06E-13 mm Hg 25 EST
Henry's Law Constant 1.63E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.62E-11 cm3/molecule-sec 25 EST

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