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Pimavanserin N-Oxide

CAT: 1459-CS-O-42815Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-42815Size:1 Each
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Description
Pimavanserin N-Oxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Pimavanserin. The product is supplied by Clearsynth under CAT No. CS-O-42815. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1134815-71-6
Synonyms
Pimavanserin N-Oxide
Molecular Formula
C 25 H 34 FN 3 O 3
Molecular Weight
443.55
Additionnal Information
Pimavanserin N-Oxide is supplied with detailed characterization data compliant with regulatory guideline. Pimavanserin N-Oxide can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Pimavanserin.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Pimavanserin N-oxide
CAS Number1134815-71-6
PubChem CID87619654
IUPAC Name1-[(4-fluorophenyl)methyl]-1-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
Molecular FormulaC25H34FN3O3
Molecular Weight443.6
XLogP4
Topological Polar Surface Area59.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity567
SMILES
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[N+](CC3)(C)[O-]
InChI
InChI=1S/C25H34FN3O3/c1-19(2)18-32-24-10-6-20(7-11-24)16-27-25(30)28(17-21-4-8-22(26)9-5-21)23-12-14-29(3,31)15-13-23/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
InChIKey
OJRCOBBRTONMAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pimavanserin N-oxide
CAS: 1134815-71-6
CID: 87619654
Formula: C25H34FN3O3
MW: 443.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass443.25842012
Monoisotopic Mass443.25842012
Topological Polar Surface Area59.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity567
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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