| CAS Number | 895519-91-2 |
| Catalog Number | AG00GU3G(AGN-PC-0WCRFH) |
| Chemical Name | BenzaMide, 4-[(4-Methyl-1-piperazinyl)Methyl]-N-[6-Methyl-5-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]-3-pyridinyl]-3-(trifluoroMethyl)-, MonoMethanesulfonate (9CI) |
| IUPAC Name | methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide |
| 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) |
| InChI Key | ZSASDYCFROUKTJ-UHFFFAOYSA-N |
| MDL Number | MFCD28053502 |
| Molecular Formula | C30H33F3N8O4S |
| Molecular Weight | 658.6944 |
| SMILES | O=C(NC1=CN=C(C(=C1)NC=2N=CC=C(N2)C3=CN=CC=C3)C)C4=CC=C(C(=C4)C(F)(F)F)CN5CCN(C)CC5.O=S(=O)(O)C |
| UNII | 95Y8L63NBC |
| Synonyms | Flumatinib mesylate,
895519-91-2,
Flumatinib (mesylate),
UNII-95Y8L63NBC,
95Y8L63NBC,
N-(6-methyl-5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)pyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide methanesulfonate,
SCHEMBL4889246,
CHEMBL3901539,
DTXSID70237780,
BCP08647,
EX-A2059,
CS-1826,
BC600408,
BenzaMide, 4-[(4-Methyl-1-piperazinyl)Methyl]-N-[6-Methyl-5-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]-3-pyridinyl]-3-(trifluoroMethyl)-, MonoMethanesulfonate (9CI),
HY-13905,
FT-0752643,
A8691,
A13530,
|
| Complexity | 934 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 658.23g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 658.701g/mol |
| Monoisotopic Mass | 658.23g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 162A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number