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
ChemSpider
30922985
ChEMBL
CHEMBL3901539
Predicted Properties
PropertyValueSource
Water Solubility0.0102 mg/mLALOGPS
logP3.43ALOGPS
logP3.66Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)11.21Chemaxon
pKa (Strongest Basic)7.57Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area99.17 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity152.3 m3·mol-1Chemaxon
Polarizability57.75 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon