EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138740 - (S)-flurtamone

ChEBI IDCHEBI:138740
ChEBI Name(S)-flurtamone
Stars
ASCII Name(S)-flurtamone
DefinitionA 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one that has S configuration.
Last Modified19 October 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H14F3NO2
Net Charge0
Average Mass333.309
Monoisotopic Mass333.09766
SMILESCNC1=C(c2cccc(C(F)(F)F)c2)C(=O)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3/t16-/m0/s1
InChIKeyNYRMIJKDBAQCHC-INIZCTEOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-flurtamone (CHEBI:138740) is a 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one (CHEBI:138738)
(S)-flurtamone (CHEBI:138740) is enantiomer of (R)-flurtamone (CHEBI:138739)
Incoming Relation(s)
flurtamone (CHEBI:138737) has part (S)-flurtamone (CHEBI:138740)
(R)-flurtamone (CHEBI:138739) is enantiomer of (S)-flurtamone (CHEBI:138740)
IUPAC Name 
(2S)-5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one