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571186-92-0 | Imatinib (Pyridine)-N-oxide
CAS No: 571186-92-0 Catalog No: AG00EFBG MDL No:MFCD11978026
Product Description
Catalog Number:
AG00EFBG
Chemical Name:
Imatinib (Pyridine)-N-oxide
CAS Number:
571186-92-0
MDL Number:
MFCD11978026
IUPAC Name:
N-[4-methyl-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
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)
InChI Key:
QEQWNPDNPZKKNH-UHFFFAOYSA-N
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.254g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
509.614g/mol
Monoisotopic Mass:
509.254g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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