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70-00-8

70-00-8 structure
70-00-8 structure
  • Name: Trifluorothymidine
  • Chemical Name: trifluridine
  • CAS Number: 70-00-8
  • Molecular Formula: C10H11F3N2O5
  • Molecular Weight: 296.200
  • Catalog: API Synthetic anti-infective drugs Antiviral drugs
  • Create Date: 2018-08-30 17:20:21
  • Modify Date: 2024-01-02 20:26:12
  • Trifluridine is an irreversible thymidylate synthase inhibitor, and thereby suppresses DNA synthesis. Trifluridine is an antiviral drug for herpes simplex virus (HSV) infection.

Name trifluridine
Synonyms 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxyméthyl)tétrahydrofuran-2-yl]-5-(trifluorométhyl)pyrimidine-2,4(1H,3H)-dione
Viroptic
α,α,α-Trifluorothymidine
2'-Deoxy-5-(trifluoromethyl)uridine
UNII-RMW9V5RW38
Trifluorothymidine
1-(2-Deoxy-β-D-glycero-pentofuranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
Trifluridine
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
EINECS 200-722-8
1-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(trifluormethyl)pyrimidin-2,4(1H,3H)-dion
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-D-ribofuranosyl)-5-(trifluoromethyl)-
2,4(1H,3H)-pyrimidinedione, 1-(2-deoxy-β-D-glycero-pentofuranosyl)-5-(trifluoromethyl)-
2'-Deoxy-5-trifluoromethyluridine
Virophta
Uridine, 2'-deoxy-5-(trifluoromethyl)-
a,a,a-Trifluorothymidine
MFCD00006534
Density 1.6±0.1 g/cm3
Melting Point 190-193 °C(lit.)
Molecular Formula C10H11F3N2O5
Molecular Weight 296.200
Exact Mass 296.062012
PSA 104.55000
LogP 0.07
Index of Refraction 1.534
Storage condition −20°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XP2087500
CHEMICAL NAME :
Thymidine, alpha,alpha,alpha-trifluoro-
CAS REGISTRY NUMBER :
70-00-8
LAST UPDATED :
199612
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C10-H11-F3-N2-O5
MOLECULAR WEIGHT :
296.23
WISWESSER LINE NOTATION :
T6NVMVJ EXFFF A- ET5OTJ B1Q CQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2946 mg/kg
TOXIC EFFECTS :
Liver - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1931 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3381 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
187 mg/kg/15D-I
TOXIC EFFECTS :
Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - leukopenia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
2600 mg/kg/90D-I
TOXIC EFFECTS :
Liver - other changes Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
2100 mg/kg/14D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - hypermotility, diarrhea Related to Chronic Data - death

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
4 mg/L
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 86,180,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3218 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 82 (estimated) No. of Female Employees: 14 (estimated)
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Warning
Hazard Statements H302 + H312 + H332-H351
Precautionary Statements P261-P280-P301 + P312 + P330
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant
Risk Phrases R20/21/22;R40
Safety Phrases S22-S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS XP2087500