Imatinib Mesylate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1461
Total Number of Articles : 5256
PubChem 123596
Molecular Formula

C30H35N7O4S

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O

InChI

InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)

synonyms
  • Imatinib mesylate
  • 220127-57-1
  • Gleevec
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Properties
Property Value
MW 589.7 g/mol
HBD 3
HBA 10
Rotatable Bond Count 7
Exact Mass 589.24712380 g/mol
Monoisotopic Mass 589.24712380 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 799
xlogp None
Topological Polar Surface Area 149