| CAS Number | 697299-82-4 |
| Catalog Number | AG00FDNM(AGN-PC-0TWKIT) |
| Chemical Name | N-De[2-(methylsulfonyl)ethyl] Lapatinib |
| IUPAC Name | 6-[5-(aminomethyl)furan-2-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine |
| InChI | InChI=1S/C26H20ClFN4O2/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-23(21)30-15-31-26)24-9-6-20(13-29)34-24/h1-12,15H,13-14,29H2,(H,30,31,32) |
| InChI Key | NQHFMDSFFGTFSK-UHFFFAOYSA-N |
| MDL Number | MFCD30720442 |
| Molecular Formula | C11H11N5 |
| Molecular Weight | 213.2385 |
| SMILES | Cc1nc2c3c(ccc2nc1)n(C)c(N)n3 |
| Synonyms | Lapatinib Impurity 3,
697299-82-4,
N-De[2-(methylsulfonyl)ethyl] Lapatinib,
SCHEMBL216849,
CHEMBL3526763,
DTXSID40620660,
NQHFMDSFFGTFSK-UHFFFAOYSA-N,
ZINC77286748,
FT-0665742,
[6-(5-Aminomethylfuran-2-yl)quinazolin-4-yl][3-chloro-4-(3-fluorobenzyloxy)phenyl]amine,
[6-(5-Aminomethyl-furan-2-yl)-quinazolin-4-yl]-[3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-amine,
6-[5-(Aminomethyl)-2-furanyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-quinazolinamine,
6-[5-(Aminomethyl)furan-2-yl]-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}quinazolin-4-amine,
|
| Complexity | 648 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 474.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 474.92g/mol |
| Monoisotopic Mass | 474.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 86.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number