EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128717 - (6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:128717
ChEBI Name(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC13H15BrN2O2
Net Charge0
Average Mass311.179
Monoisotopic Mass310.03169
SMILESO=C1CNC[C@H]2[C@H](c3ccc(Br)cc3)[C@H](CO)N12
InChIInChI=1S/C13H15BrN2O2/c14-9-3-1-8(2-4-9)13-10-5-15-6-12(18)16(10)11(13)7-17/h1-4,10-11,13,15,17H,5-7H2/t10-,11-,13-/m0/s1
InChIKeyCPZPDKPINUWRBY-GVXVVHGQSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128717) is a azetidines (CHEBI:38777)
(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128717) is a benzenes (CHEBI:22712)
(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128717) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-40271LINCS