loading...| Preferred Name |
pimavanserin tartrate |
|
| Synonyms |
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 ACP-103 pimavanserin hemitartrate Bis(1-(4-Fluorobenzyl)-1-(1-methylpiperidin-4-yl)-3-(4-(2-methylpropoxy)benzyl)urea) (2R,3R)-2,3-dihydroxybutanedioate ACP 103 Nuplazid |
|
| Definitions |
A 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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_133014 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:19040345 Wikipedia:Pimavanserin PMID:16220333 PMID:16469866 PMID:17708779 PMID:17473118 PMID:17495279 PMID:17519387 PMID:16869120 KEGG:D08969 CAS:706782-28-7 Reaxys:10410569 Patent:NZ541146 PMID:18534670 PMID:19864614 PMID:21256805 PMID:26908168 |
|
| definition |
A 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. |
|
| formula |
C54H74F2N6O10 |
|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_133016 |
|
| has_exact_synonym |
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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ACP-103 pimavanserin hemitartrate Bis(1-(4-Fluorobenzyl)-1-(1-methylpiperidin-4-yl)-3-(4-(2-methylpropoxy)benzyl)urea) (2R,3R)-2,3-dihydroxybutanedioate ACP 103 Nuplazid |
|
| id |
CHEBI:133014 |
|
| in_subset | ||
| inchi |
InChI=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 |
|
| inchikey |
RGSULKHNAKTFIZ-CEAXSRTFSA-N |
|
| label |
pimavanserin tartrate |
|
| mass |
1005.198 |
|
| monoisotopicmass |
1004.54345 |
|
| notation |
CHEBI:133014 |
|
| prefLabel |
pimavanserin tartrate |
|
| smiles |
C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C.OC([C@@H]([C@H](C(O)=O)O)O)=O.C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C |
|
| treeView | ||
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_133014 | BERO | SAME_URI | |
| http://purl.bioontology.org/ontology/RXNORM/1791686 | RXNORM | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_133014 | BERO | LOOM | |
| http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C80764 | NCIT | LOOM | |
| http://purl.obolibrary.org/obo/NCIT_C80764 | BERO | LOOM | |
| http://purl.bioontology.org/ontology/NDDF/016845 | NDDF | LOOM |