EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31612 - Floctafenine

Default Structure
ChEBI IDCHEBI:31612
ChEBI NameFloctafenine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H17F3N2O4
Net Charge0
Average Mass406.360
Monoisotopic Mass406.11404
SMILESO=C(OCC(O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)
InChIKeyAPQPGQGAWABJLN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Floctafenine (CHEBI:31612) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
diralganDrugCentral
floctafeninDrugCentral
FloctafenineKEGG COMPOUND
idaracDrugCentral
novodolanDrugCentral
Manual XrefsDatabases
1178DrugCentral
D01267KEGG DRUG
Registry NumbersSources
CAS:23779-99-9KEGG COMPOUND