EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133014 - pimavanserin tartrate

Default Structure
ChEBI IDCHEBI:133014
ChEBI Namepimavanserin tartrate
Stars
DefinitionA tartrate salt that is the hemitartrate salt of pimavanserin. An atypical antipsychotic that is used for treatment of hallucinations and delusions associated with Parkinson's disease.
Last Modified16 August 2016
SubmitterSteve
DownloadsMolfile
Formula2C25H34FN3O2.C4H6O6
Net Charge0
Average Mass1005.214
Monoisotopic Mass1004.54345
SMILESCC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
InChIKeyRGSULKHNAKTFIZ-CEAXSRTFSA-N
Wikipedia
Roles Classification
Biological Roles:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
5-hydroxytryptamine 2A receptor inverse agonist  An inverse agonist that binds to the same receptor as a 5-hydroxytryptamine 2A receptor agonist, but which induces a pharmacological response opposite to that agonist.
Applications:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
ChEBI Ontology
Outgoing Relation(s)
pimavanserin tartrate (CHEBI:133014) has part pimavanserin(1+) (CHEBI:133020)
pimavanserin tartrate (CHEBI:133014) has role 5-hydroxytryptamine 2A receptor inverse agonist (CHEBI:133016)
pimavanserin tartrate (CHEBI:133014) has role antipsychotic agent (CHEBI:35476)
pimavanserin tartrate (CHEBI:133014) has role serotonergic antagonist (CHEBI:48279)
pimavanserin tartrate (CHEBI:133014) is a tartrate salt (CHEBI:50562)
IUPAC Names 
bis(4-{[(4-fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium) (2R,3R)-2,3-dihydroxybutanedioate
bis{N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}urea} (2R,3R)-2,3-dihydroxybutanedioate
Synonyms  Source
ACP 103ChemIDplus
ACP-103ChemIDplus
Bis(1-(4-Fluorobenzyl)-1-(1-methylpiperidin-4-yl)-3-(4-(2-methylpropoxy)benzyl)urea) (2R,3R)-2,3-dihydroxybutanedioateChemIDplus
pimavanserin hemitartrateChEBI
Brand Name  Source
NuplazidKEGG DRUG
Manual XrefsDatabases
D08969KEGG DRUG
NZ541146Patent
PimavanserinWikipedia
Registry NumbersSources
Reaxys:10410569Reaxys
CAS:706782-28-7ChemIDplus
CAS:706782-28-7KEGG DRUG
Citations