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Details

Stereochemistry ACHIRAL
Molecular Formula C25H34FN3O2
Molecular Weight 427.5548
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIMAVANSERIN

SMILES

CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C3CCN(C)CC3)C=C1

InChI

InChIKey=RKEWSXXUOLRFBX-UHFFFAOYSA-N
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)

HIDE SMILES / InChI
Molecular Formula C25H34FN3O2
Molecular Weight 427.5548
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:29:18 UTC 2023
Edited
by admin
on Fri Dec 15 15:29:18 UTC 2023
Record UNII
JZ963P0DIK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIMAVANSERIN
DASH   INN   WHO-DD  
INN  
Official Name English
pimavanserin [INN]
Common Name English
PIMAVANSERIN [MI]
Common Name English
Pimavanserin [WHO-DD]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175430
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
WHO-ATC N05AX17
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
NCI_THESAURUS C66885
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
Code System Code Type Description
MERCK INDEX
m11934
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
DRUG BANK
DB05316
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
CAS
706779-91-1
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
FDA UNII
JZ963P0DIK
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
RXCUI
1791685
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
NCI_THESAURUS
C76444
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
DRUG CENTRAL
5142
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
SMS_ID
100000170046
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
CHEBI
133017
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
DAILYMED
JZ963P0DIK
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
EVMPD
SUB183869
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
INN
8877
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
PUBCHEM
10071196
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
WIKIPEDIA
PIMAVANSERIN
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID90990906
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
Related Record Type Details
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of PIMAVANSERIN TARTRATE
SALT/SOLVATE -> PARENT
Structure of PIMAVANSERIN
EXCRETED UNCHANGED
FECAL
5-HYDROXYTRYPTAMINE RECEPTOR 2A
TARGET->INVERSE AGONIST
AGONIST
Ki
5-HYDROXYTRYPTAMINE RECEPTOR 2C
TARGET->INVERSE AGONIST
AGONIST
Ki
CYTOCHROME P450 2J2
METABOLIC ENZYME -> SUBSTRATE
MINOR
CYTOCHROME P450 3A5
METABOLIC ENZYME -> SUBSTRATE
Structure of PIMAVANSERIN
EXCRETED UNCHANGED
URINE
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MAJOR
Related Record Type Details
Structure of DE(ISOBUTYL)-N-DEMETHYL PIMAVANSERIN
METABOLITE -> PARENT
Structure of EXO-DEHYDRO N-DEMETHYL-PIMAVANSERIN
METABOLITE -> PARENT
Structure of 1-((4-FLUOROPHENYL)METHYL)-3-((3-HYDROXY-4-METHOXY-PHENYL)METHYL)-1-(1-METHYL-4-PIPERIDYL)UREA
METABOLITE -> PARENT
Structure of AC-271368
METABOLITE -> PARENT
Structure of PIMAVANSERIN N-OXIDE
METABOLITE -> PARENT
Structure of N-DEMETHYLPIMAVANSERIN, (DE(O-ISOBUTYL)-O-(2-HYDROXY-ISOBUTYL))-
METABOLITE -> PARENT
Structure of 1-(4-FLUOROBENZYL)-1-(1-METHYLPIPERIDIN-4-YL)UREA
METABOLITE -> PARENT
Structure of AC-260620
METABOLITE -> PARENT
Structure of 1-((4-FLUORO-2-HYDROXY-PHENYL)METHYL)-3-((4-HYDROXYPHENYL)METHYL)-1-(4-PIPERIDYL)UREA
METABOLITE -> PARENT
Structure of EXO-DEHYDRO-PIMAVANSERIN
METABOLITE -> PARENT
Structure of AC-423
METABOLITE -> PARENT
Major in rat
Structure of 1-((4-FLUOROPHENYL)METHYL)-3-((4-(3-HYDROXY-2-METHYL-PROPOXY)PHENYL)METHYL)-1-(4-PIPERIDYL)UREA
METABOLITE -> PARENT
Structure of AC-271377
METABOLITE -> PARENT
Structure of 1-((4-FLUOROPHENYL)METHYL)-3-((4-(3-HYDROXY-2-METHYL-PROPOXY)PHENYL)METHYL)-1-(1-METHYL-4-PIPERIDYL)UREA
METABOLITE -> PARENT
Structure of 1-((4-FLUORO-2-HYDROXY-PHENYL)METHYL)-3-((4-HYDROXYPHENYL)METHYL)-1-(1-METHYL-4-PIPERIDYL)UREA
METABOLITE -> PARENT
Structure of AC-260620-NDSM
METABOLITE -> PARENT
Structure of AC-279
METABOLITE ACTIVE -> PARENT
MAJOR
Structure of 3-(4-((((4-FLUOROPHENYL)METHYL-(4-PIPERIDYL)CARBAMOYL)AMINO)METHYL)PHENOXY)-2-METHYL-PROPANOIC ACID
METABOLITE -> PARENT
Structure of AC-271336
METABOLITE -> PARENT
Structure of AC-90679
METABOLITE -> PARENT
Structure of AC-271337
METABOLITE -> PARENT
Structure of DE(ISOBUTYL)PIMAVANSERIN
METABOLITE -> PARENT
Structure of 1-((4-FLUOROPHENYL)METHYL)-1-(4-PIPERIDYL)UREA
METABOLITE -> PARENT
Structure of 1-((4-FLUOROPHENYL)METHYL)-3-((4-HYDROXY-3-METHOXY-PHENYL)METHYL)-1-(1-METHYL-4-PIPERIDYL)UREA
METABOLITE -> PARENT
Related Record Type Details
Structure of PIMAVANSERIN
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
Tmax PHARMACOKINETIC
NIH
NCATS
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