CHEBI:4994 - Febrifugine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Febrifugine
ChEBI ID CHEBI:4994
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H19N3O3
Net Charge 0
Average Mass 301.341
Monoisotopic Mass 301.143
InChI InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m0/s1
InChIKey FWVHWDSCPKXMDB-LSDHHAIUSA-N
SMILES O[C@@H]1CCCN[C@H]1CC(=O)Cn1cnc2ccccc2c1=O
ChEBI Ontology
Outgoing Febrifugine (CHEBI:4994) is a quinazolines (CHEBI:38530)
Synonym Source
Febrifugine KEGG COMPOUND
Manual Xrefs Databases
C00002160 KNApSAcK
C10677 KEGG COMPOUND
View more database links
Registry Number Type Source
24159-07-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014