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Substance Name: Uracil, 5-fluoro-1-(p-methoxybenzyl)-
RN: 85093-35-2
InChIKey: IWTFDHOAOPEINT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-F-N2-O3

Molecular Weight

  • 250.2279
 
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Names and Synonyms

Synonyms

  • 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-((4-methoxyphenyl)methyl)-
  • 5-Fluoro-1-(p-methoxybenzyl)-uracil

Systematic Name

  • Uracil, 5-fluoro-1-(p-methoxybenzyl)-

Registry Numbers

CAS Registry Number

  • 85093-35-2

System Generated Number

  • 0085093352

Structure Descriptors

InChI

1S/C12H11FN2O3/c1-18-9-4-2-8(3-5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17)

InChIKey

IWTFDHOAOPEINT-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)Cn2cc(c(=O)[nH]c2=O)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 770mg/kg (770mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 888, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.04 (none)   EXP
Water Solubility 3050 mg/L 25 EST
Vapor Pressure 7.67E-10 mm Hg 25 EST
Henry's Law Constant 1.74E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.67E-11 cm3/molecule-sec 25 EST

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