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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
- All
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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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-NSmiles
c1c(c(=O)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.