tegafur   

GtoPdb Ligand ID: 10513

Synonyms: Florafur® | FT-207 | FT207 | Ftorafur®
tegafur is an approved drug (EMA (2011))
Compound class: Synthetic organic
Comment: Like capecitabine and floxuridine, tegafur is a prodrug of the chemotherapeutic agent 5-fluorouracil. It is orally active. The INN specifies tegafur as a racemic mixture of enantiomers. We show the molecule without specified stereochemistry to represent the mixture.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 64.09
Molecular weight 200.06
XLogP 0.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=c1[nH]c(=O)n(cc1F)C1CCCO1
Isomeric SMILES O=c1[nH]c(=O)n(cc1F)C1CCCO1
InChI InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChI Key WFWLQNSHRPWKFK-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2011))
IUPAC Name
5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
International Nonproprietary Names
INN number INN
4415 tegafur
Synonyms
Florafur® | FT-207 | FT207 | Ftorafur®
Database Links
CAS Registry No. 17902-23-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL20883
DrugCentral Ligand 4398
GtoPdb PubChem SID 387065595
PubChem CID 5386
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