Flumatinib MesylateProduct ingredient for Flumatinib
- Name
- Flumatinib Mesylate
- Drug Entry
- Flumatinib
Flumatinib has been used in trials studying the treatment of Myelogenous Leukemia, Chronic.
- Accession Number
- DBSALT002102
- Structure
- Synonyms
- Not Available
- UNII
- 95Y8L63NBC
- CAS Number
- 895519-91-2
- Weight
- Average: 658.7
Monoisotopic: 658.229757238 - Chemical Formula
- C30H33F3N8O4S
- InChI Key
- ZSASDYCFROUKTJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H29F3N8O.CH4O3S/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40;1-5(2,3)4/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38);1H3,(H,2,3,4)
- IUPAC Name
- N-(6-methyl-5-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}pyridin-3-yl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2C(F)(F)F)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CC=CN=C3)=C(C)N=C2)CC1
- External Links
- ChemSpider
- 30922985
- ChEMBL
- CHEMBL3901539
- Predicted Properties
Property Value Source Water Solubility 0.0102 mg/mL ALOGPS logP 3.43 ALOGPS logP 3.66 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 11.21 Chemaxon pKa (Strongest Basic) 7.57 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.17 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 152.3 m3·mol-1 Chemaxon Polarizability 57.75 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon