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Trifluorothymidine

CAT: 0926-NT04884-02Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-NT04884-02Size:1000 mg
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CAS Number
70-00-8
Synonyms
Trifluoridine; Trifluorothymine deoxyriboside; α, α, α-Trifluorothymidine; Trifluoro-D-thymidine
MDL Number
MFCD00006534
Smiles
C1[C@@H] ([C@H] (O[C@H]1N2C=C (C (=O) NC2=O) C (F) (F) F) CO) O
Molecular Formula
C10H11F3N2O5
Molecular Weight
296.2 g/mol
Controlled
No

Chemical Information

Trifluridine

Trifluridine is a pyrimidine 2'-deoxyribonucleoside compound having 5-trifluoromethyluracil as the nucleobase. An antiviral drug used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis. It has a role as an antimetabolite, an antineoplastic agent, an antiviral drug and an EC 2.1.1.45 (thymidylate synthase) inhibitor. It is a pyrimidine 2'-deoxyribonucleoside, an organofluorine compound and a nucleoside analogue.

CAS Number70-00-8
PubChem CID6256
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Molecular FormulaC10H11F3N2O5
Molecular Weight296.20
XLogP-0.5
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity464
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
Chemical Structure
2D Structure
2D structure of Trifluridine
CAS: 70-00-8
CID: 6256
Formula: C10H11F3N2O5
MW: 296.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.20
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass296.06200594
Monoisotopic Mass296.06200594
Topological Polar Surface Area99.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FT10650-015-Trifluorothymine

Alternative Products

CatalogName
sc-222370Trifluorothymidine
MBS6058188-01Trifluorothymidine (Trifluridine, Trifluorothymine Deoxyriboside, a,a,a-Trifluorothymidine)
RM-T043100-01Trifluorothymidine; Trifluridine
T8416-72-015-Trifluorothymidine
468147-01Trifluorothymidine-13C,15N2
79009-015-Trifluorothymidine extrapure, 99%
256969Trifluorothymidine discontinued. See T8416-72
TBI1283-250MGTrifluorothymidine, Thymidylate synthase inhibitor; Anti cancer agent
234402-015-Trifluorothymidine 98+% (HPLC) discontinued. See T8416-72

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