EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:233291 - saredutant

ChEBI IDCHEBI:233291
ChEBI Namesaredutant
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC31H35Cl2N3O2
Net Charge0
Average Mass552.546
Monoisotopic Mass551.21063
SMILES[H][C@@](CCN1CCC(/N=C(\C)O)(c2ccccc2)CC1)(CN(C)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
InChIKeyPGKXDIMONUAMFR-AREMUKBSSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
saredutant (CHEBI:233291) is a antagonist (CHEBI:48706)
IUPAC Name 
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Synonym  Source
SR 48968SUBMITTER
Manual XrefsDatabases
DB06660DrugBank
https://en.wikipedia.org/wiki/SaredutantWikipedia
Registry NumbersSources
CAS:142001-63-6SUBMITTER
Citations