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Basic information

  • Name:

  • Trifluridine

  • CAS No.:

  • 70-00-8

  • Formula:
  • C10H11F3N2O5
  • Synonyms:
  • Uridine, 2'-deoxy-5-(trifluoromethyl)-(7CI);2'-Deoxy-5-(trifluoromethyl)uridine;5-(Trifluoromethyl)-2'-deoxyuridine;5-(Trifluoromethyl)deoxyuridine;5-Trifluoromethyl-2'-deoxy-b-uridine;5-Trifluorothymidine;NSC 529182;NSC 75520;Trifluorothymidine;Viroptic;

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Chemistry

IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl) pyrimidine-2,4-dione 
Empirical Formula: C10H11F3N2O5
Molecular Weight: 296.1999g/mol
EINECS: 200-722-8 
Structure of Trifluridine (CAS NO.70-00-8):

Index of Refraction: 1.534
Molar Refractivity: 55.92 cm3
Molar Volume: 179.8 cm3
Polarizability: 22.17×10-24cm3
Surface Tension: 56.1 dyne/cm
Density: 1.646 g/cm3 
Melting Point: 190-193 °C(lit.)
Product Categories: Pharmaceutical Raw Materials;Pyrimidine series;API intermediates;Nucleotides and Nucleosides;Antivirals for Research and Experimental Use;Biochemistry;Chemical Reagents for Pharmacology Research;Nucleosides and their analogs;Nucleosides, Nucleotides & Related Reagents;Bases & Related Reagents;Nucleotides 
Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O
Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O
InChI: InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
InChIKey: VSQQQLOSPVPRAZ-RRKCRQDMSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LDLo intravenous 400mg/kg (400mg/kg)   Government Reports Announcements. Vol. 74(9), Pg. 60, 1974.
mouse LD50 intraperitoneal 1931mg/kg (1931mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 intravenous 3381mg/kg (3381mg/kg)   Progress Report Submitted to the National Cancer Institute by Arthur D. Little, Inc. Vol. -, Pg. 260, 1967.
rat LD50 intravenous 2946mg/kg (2946mg/kg) LIVER: OTHER CHANGES Progress Report Submitted to the National Cancer Institute by Arthur D. Little, Inc. Vol. -, Pg. 260, 1967.

Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 20/21/22-40
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 22-36
S22:Do not breathe dust. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: XP2087500
Hazard Note: Keep Cold

Specification

  Trifluridine , its cas register number is 70-00-8. It also can be called 2'-Deoxy-5-(trifluoromethyl)uridine ; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-5-(trifluoromethyl)- ; 5-(Trifluoromethyl)deoxyuridine ; 5-Trifluoro-2'-deoxythymidine ; 5-Trifluoromethyl-2-deoxyuridine ; F3DThd ; F3T ; F3TDR ; NSC 529182 ; NSC 75520 ; TFDU ;
 Trifluoromethyldeoxyuridine ; Trifluorothymidine ; Trifluridina ; Trifluridine ; Trifluridinum ; UNII-RMW9V5RW38 ; Uridine, 2'-deoxy-5-(trifluoromethyl)- ; Viroptic .

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