tegafur   Click here for help

GtoPdb Ligand ID: 10513

Synonyms: Florafur® | FT-207 | FT207 | Ftorafur®
Approved drug
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
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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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2011))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4415 tegafur
Synonyms Click here for help
Florafur® | FT-207 | FT207 | Ftorafur®
Database Links Click here for help
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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