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Palbociclib Piperazine N-Oxide

CAT: 1459-CS-P-01931Size: 1 EachDry Ice: NoHazardous: No
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Description
Palbociclib Piperazine N-Oxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Palbociclib. The product is supplied by Clearsynth under CAT No. CS-P-01931. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Impurity of Palbociclib
CAS Number
2174002-29-8
Synonyms
Palbociclib Piperazine N-Oxide
Molecular Formula
C 24 H 29 N 7 O 3
Molecular Weight
463.53
Additionnal Information
Palbociclib Piperazine N-Oxide is supplied with detailed characterization data compliant with regulatory guideline. Palbociclib Piperazine 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 Palbociclib.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Impurity of Palbociclib
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

1-(6-((6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine 1-oxide
CAS Number2174002-29-8
PubChem CID152630072
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-oxidopiperazin-1-ium-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC24H29N7O3
Molecular Weight463.5
XLogP1
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity821
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)[N+]4(CCNCC4)[O-])C5CCCC5)C(=O)C
InChI
InChI=1S/C24H29N7O3/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)31(34)11-9-25-10-12-31)29-22(19)30(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
InChIKey
ZDIMBNTYWUUTJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-((6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine 1-oxide
CAS: 2174002-29-8
CID: 152630072
Formula: C24H29N7O3
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass463.23318781
Monoisotopic Mass463.23318781
Topological Polar Surface Area118 Ų
Heavy Atom Count34
Formal Charge0
Complexity821
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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