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Piribedil Metabolite M2

CAT: 1459-CS-O-44449Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-44449Size:1 Each
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Description
Piribedil Metabolite M2 is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Piribedil. The product is supplied by Clearsynth under CAT No. CS-O-44449. 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
50602-51-2
Synonyms
Piribedil Metabolite M2
Molecular Formula
C 16 H 18 N 4 O 3
Molecular Weight
314.34
Additionnal Information
Piribedil Metabolite M2 is supplied with detailed characterization data compliant with regulatory guideline. Piribedil Metabolite M2 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 Piribedil.
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

1-(3,4-Methylenedioxybenzyl)-4-(5-hydroxy-2-pyrimidyl)piperazine
CAS Number50602-51-2
PubChem CID10470884
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-5-ol
Molecular FormulaC16H18N4O3
Molecular Weight314.34
XLogP1.4
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity384
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=N4)O
InChI
InChI=1S/C16H18N4O3/c21-13-8-17-16(18-9-13)20-5-3-19(4-6-20)10-12-1-2-14-15(7-12)23-11-22-14/h1-2,7-9,21H,3-6,10-11H2
InChIKey
UVNCXSQTCMRENC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4-Methylenedioxybenzyl)-4-(5-hydroxy-2-pyrimidyl)piperazine
CAS: 50602-51-2
CID: 10470884
Formula: C16H18N4O3
MW: 314.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.34
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass314.13789045
Monoisotopic Mass314.13789045
Topological Polar Surface Area71 Ų
Heavy Atom Count23
Formal Charge0
Complexity384
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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