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N-Desmethyl Imatinib-d8

CAT: 1459-CS-O-06677Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Desmethyl Imatinib-d8 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-O-06677. 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
1185103-28-9
Synonyms
N-Desmethyl Imatinib-d8
Molecular Formula
C 28 H 21 D 8 N 7 O
Molecular Weight
487.63
Additionnal Information
N-Desmethyl Imatinib-d8 is supplied with detailed characterization data compliant with regulatory guideline. N-Desmethyl Imatinib-d8 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 accurate information.

Chemical Information

N-Desmethyl Imatinib-d8
CAS Number1185103-28-9
PubChem CID44816894
IUPAC NameN-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methyl]benzamide
Molecular FormulaC28H29N7O
Molecular Weight487.6
XLogP3
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity679
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)([2H])[2H])[2H]
InChI
InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)/i13D2,14D2,15D2,16D2
InChIKey
BQQYXPHRXIZMDM-DBVREXLBSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyl Imatinib-d8
CAS: 1185103-28-9
CID: 44816894
Formula: C28H29N7O
MW: 487.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass487.29357254
Monoisotopic Mass487.29357254
Topological Polar Surface Area95.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity679
Isotope Atom Count8
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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