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706779-91-1

706779-91-1 structural image
Product Name: Pimavanserin
Formula: C25H34FN3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 604.2±55.0
Melting Point 117-119
Dissociation Constants 13.52±0.46

COMPUTED DESCRIPTORS

Molecular Weight 427.6 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 427.26350550 g/mol
Monoisotopic Mass 427.26350550 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 523
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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

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