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Pimavanserin 100mg

CAT: 0628-A14434-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A14434-100Size:100 mg
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CAS Number
706779-91-1

Chemical Information

Pimavanserin

Pimavanserin is 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. It has a role as a 5-hydroxytryptamine 2A receptor inverse agonist, an antipsychotic agent and a serotonergic antagonist. It is a member of piperidines, an aromatic ether, a member of ureas, a tertiary amino compound and a member of monofluorobenzenes. It is a conjugate base of a pimavanserin(1+).

CAS Number706779-91-1
PubChem CID10071196
IUPAC Name1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
Molecular FormulaC25H34FN3O2
Molecular Weight427.6
XLogP4.5
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity523
SMILES
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C
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
Chemical Structure
2D Structure
2D structure of Pimavanserin
CAS: 706779-91-1
CID: 10071196
Formula: C25H34FN3O2
MW: 427.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass427.26350550
Monoisotopic Mass427.26350550
Topological Polar Surface Area44.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-14557-01Pimavanserin
TMIH-0435-01Pimavanserin-d3
T6946-01Pimavanserin tartrate

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