Products for Research Use Only

Imatinib (Pyridine) -N-oxide

CAT: 1459-CS-T-56608Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1459-CS-T-56608Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Imatinib (Pyridine) -N-oxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Imatinib. The product is supplied by Clearsynth under CAT No. CS-T-56608. 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
571186-92-0
Synonyms
Imatinib (Pyridine) -N-oxide
Molecular Formula
C 29 H 31 N 7 O 2
Molecular Weight
509.6
Additionnal Information
Imatinib (Pyridine) -N-oxide is supplied with detailed characterization data compliant with regulatory guideline. Imatinib (Pyridine) -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 Imatinib.
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

Imatinib (Pyridine)-N-oxide
CAS Number571186-92-0
PubChem CID9827642
IUPAC NameN-[4-methyl-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Molecular FormulaC29H31N7O2
Molecular Weight509.6
XLogP2.5
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity740
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=C[N+](=CC=C5)[O-]
InChI
InChI=1S/C29H31N7O2/c1-21-5-10-25(18-27(21)33-29-30-12-11-26(32-29)24-4-3-13-36(38)20-24)31-28(37)23-8-6-22(7-9-23)19-35-16-14-34(2)15-17-35/h3-13,18,20H,14-17,19H2,1-2H3,(H,31,37)(H,30,32,33)
InChIKey
QEQWNPDNPZKKNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imatinib (Pyridine)-N-oxide
CAS: 571186-92-0
CID: 9827642
Formula: C29H31N7O2
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass509.25392326
Monoisotopic Mass509.25392326
Topological Polar Surface Area98.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity740
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