Chemical Name: Imatinib Mesilate
Molecular Formula: C29H31N7O
Molecular Weight: 493.6
InChI Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N
InChI: InChI=1S/C29H31N7O/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/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Refractive_Index:	1.672
Vapor_Pressure:	6.03E-24mmHg at 25°C
Flash_Point:	196°C
LogP:	2.48
Bolling_Point:	451°C
FW:	493.603
PSA:	86.28000
Computational_Chemistry:	['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :6 ', '6. TPSA 863 ', '7. Heavy Atom Count :37 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :706 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	113°C
MF:	C29H31N7O
Exact_Mass:	493.259003
Molecular_Structure:	['1 . Molar refractive index 14709 ', '2 . Molar volume 3930 ', '3 . Parachor （902K）11100 ', '4 . Surface tension 636 ', '5 . Polarizability 5831']
Density:	1.3±0.1 g/cm3
More_Info:	['1. Melting point（ºC）211～231']

Hazard_Class:	6.1
Risk_Statements(EU):	R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R40:Limited evidence of a carcinogenic effect. R48/23/24:Toxic: danger of serious damage to health by prolonged exposure through inhalation and in contact with skin . R51/53:Toxic to aq
WGK_Germany:	3
RIDADR:	UN 1662 6.1/PG 2
Hazard_Codes:	T,N
HS_Code:	2933990090
Safety_Statements:	S28-S36/37-S45-S61-S24/25-S23-S53
Packing_Group:	II