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Imatinib mesylate

CAT: 0024-sc-202180Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202180Size:25 mg
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CAS Number
220127-57-1

Chemical Information

Imatinib Mesylate

Imatinib methanesulfonate is a methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. It has a role as an anticoronaviral agent, an antineoplastic agent, a tyrosine kinase inhibitor and an apoptosis inducer. It contains an imatinib.

CAS Number220127-57-1
PubChem CID123596
IUPAC Namemethanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Molecular FormulaC30H35N7O4S
Molecular Weight589.7
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity799
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)
InChIKey
YLMAHDNUQAMNNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imatinib Mesylate
CAS: 220127-57-1
CID: 123596
Formula: C30H35N7O4S
MW: 589.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight589.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass589.24712380
Monoisotopic Mass589.24712380
Topological Polar Surface Area149 Ų
Heavy Atom Count42
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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