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CHEBI:71015 - perampanel hydrate

ChEBI IDCHEBI:71015
ChEBI Nameperampanel hydrate
Stars
DefinitionA hydrate obtained by combining four molecules of perampanel with three molecules of water. Used as an adjunctive therapy for the treatment of partial-onset seizures in patients with epilepsy.
Last Modified13 November 2012
SubmitterSteve
DownloadsMolfile
Formula4C23H15N3O.3H2O
Net Charge0
Average Mass1451.617
Monoisotopic Mass1450.51774
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.O.O.O
InChIInChI=1S/4C23H15N3O.3H2O/c4*24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;;;/h4*1-14,16H;3*1H2
InChIKeyPDWMJDKMSASBNE-UHFFFAOYSA-N
Roles Classification
Biological Role:
AMPA receptor antagonist  An antagonist at the AMPA receptor.
Application:
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
perampanel hydrate (CHEBI:71015) has part perampanel (CHEBI:71013)
perampanel hydrate (CHEBI:71015) has role AMPA receptor antagonist (CHEBI:71014)
perampanel hydrate (CHEBI:71015) has role anticonvulsant (CHEBI:35623)
perampanel hydrate (CHEBI:71015) is a hydrate (CHEBI:35505)
IUPAC Name 
2-(6'-oxo-1'-phenyl-1',6'-dihydro-2,3'-bipyridin-5'-yl)benzonitrile—water(4/3)
Brand Name  Source
FycompaChEBI