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Substance Name: Trifluorothymine
RN: 54-20-6
UNII: 4U846R5P34
InChIKey: LMNPKIOZMGYQIU-UHFFFAOYSA-N

Note

  • A metabolite of trifluorothymidine in the mammalian brain tissue.

Molecular Formula

  • C5-H3-F3-N2-O2

Molecular Weight

  • 180.0847
 
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Names and Synonyms

Results Name

  • Trifluorothymine

Name of Substance

  • Trifluoromethyluracil

Synonyms

  • 5-TFMU
  • 5-Trifluoromethyluracil
  • EINECS 200-197-5
  • F3T
  • L 595725-0-1
  • NSC 73757
  • TFT
  • Trifluorothymine
  • UNII-4U846R5P34

Systematic Names

  • 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)- (9CI)
  • 5-(Trifluoromethyl)uracil
  • Uracil, 5-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 54-20-6

FDA UNII

  • 4U846R5P34

System Generated Number

  • 0000054206

Structure Descriptors

InChI

1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)

InChIKey

LMNPKIOZMGYQIU-UHFFFAOYSA-N

Smiles

c1c(c(=O)[nH]c(=O)[nH]1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Cancer Research. Vol. 24, Pg. 1979, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 316 deg C   EXP
log P (octanol-water) 0.04 (none)   EXP
Water Solubility 2490 mg/L 25 EST
Vapor Pressure 2.30E-06 mm Hg 25 EST
Henry's Law Constant 1.07E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.39E-11 cm3/molecule-sec 25 EST

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