EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134716 - brexpiprazole

ChEBI IDCHEBI:134716
ChEBI Namebrexpiprazole
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC25H27N3O2S
Net Charge0
Average Mass433.577
Monoisotopic Mass433.18240
SMILESO=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2n1
InChIInChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
InChIKeyZKIAIYBUSXZPLP-UHFFFAOYSA-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)
brexpiprazole (CHEBI:134716) is a N-arylpiperazine (CHEBI:46848)
Synonyms  Source
rexultiDrugCentral
OPC 34712DrugCentral
OPC-34712DrugCentral
Manual XrefsDatabases
5014DrugCentral
Registry NumbersSources
CAS:913611-97-9DrugCentral