loading...| Preferred Name |
pimavanserin |
|
| Synonyms |
N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}urea pimavanserin N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide |
|
| Definitions |
A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_133017 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:CA2652300 Reaxys:10386699 PMID:19040345 PMID:21921840 PMID:27261226 PMID:27242287 PMID:27262680 Drug_Central:5142 Wikipedia:Pimavanserin PMID:24183563 PMID:24183566 PMID:16469866 PMID:26744739 PMID:27249096 PMID:22750845 PMID:24247322 CAS:706779-91-1 PMID:22954754 PMID:23969614 PMID:25655720 PMID:19907417 PMID:19864614 PMID:21256805 PMID:27245248 PMID:26908168 PMID:24292660 PMID:27503570 PMID:24682754 PMID:24016069 |
|
| definition |
A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease. |
|
| formula |
C25H34FN3O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_133016 |
|
| has_exact_synonym |
N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}urea |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
pimavanserin N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide |
|
| id |
CHEBI:133017 |
|
| in_subset | ||
| inchi |
InChI=1S/C25H34FN3O2/c1-19(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/h4-11,19,23H,12-18H2,1-3H3,(H,27,30) |
|
| inchikey |
RKEWSXXUOLRFBX-UHFFFAOYSA-N |
|
| is conjugate base of | ||
| label |
pimavanserin |
|
| mass |
427.556 |
|
| monoisotopicmass |
427.26351 |
|
| notation |
CHEBI:133017 |
|
| prefLabel |
pimavanserin |
|
| smiles |
C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_47857 http://purl.obolibrary.org/obo/CHEBI_83575 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_47857 http://purl.obolibrary.org/obo/CHEBI_83575 |