AG009EGA

Name: 3-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
Brand: Angene Chemical
SKU: AG009EGA

1246819-59-9 | 3-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Chemical structure of 3-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide, CAS 1246819-59-9

AG009EGA

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CAS Number	1246819-59-9
Catalog Number	AG009EGA(AGN-PC-0WBMFV)
Chemical Name	3-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
IUPAC Name	3-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
InChI	InChI=1S/C29H31N7O/c1-21-8-9-25(18-27(21)34-29-31-12-10-26(33-29)24-7-4-11-30-19-24)32-28(37)23-6-3-5-22(17-23)20-36-15-13-35(2)14-16-36/h3-12,17-19H,13-16,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChI Key	HIPOQAXTOUMJRW-UHFFFAOYSA-N
MDL Number	MFCD30741277
Molecular Formula	C29H31N7O
Molecular Weight	493.6027
SMILES	O=C(NC1=CC=C(C(=C1)NC=2N=CC=C(N2)C3=CN=CC=C3)C)C4=CC=CC(=C4)CN5CCN(C)CC5
Synonyms	1246819-59-9, Imatinib Meta-methyl-piperazine, SCHEMBL6239405, DTXSID20741185, ZINC65743052, ACN-026574, 3-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[(4-pyridinyl)-2-pyrimidinylamino]phenyl]benzamide, 3-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-3-((4-methylpiperazin-1-yl)methyl)benzamide, Imatinib Meta-methyl-piperazine Impurity, HIPOQAXTOUMJRW-UHFFFAOYSA-N,

Complexity	714
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	493.259g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	493.615g/mol
Monoisotopic Mass	493.259g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	86.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited