EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:80003 - Fexaramine

ChEBI IDCHEBI:80003
ChEBI NameFexaramine
Stars
DownloadsMolfile
FormulaC32H36N2O3
Net Charge0
Average Mass496.651
Monoisotopic Mass496.27259
SMILESCOC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1
InChIInChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+
InChIKeyVLQTUNDJHLEFEQ-KGENOOAVSA-N
ChEBI Ontology
Outgoing Relation(s)
Fexaramine (CHEBI:80003) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
C15649KEGG COMPOUND
Registry NumbersSources
CAS:574013-66-4KEGG COMPOUND