| CAS Number | 1431697-90-3 |
| Catalog Number | AG009CEP |
| Chemical Name | SB-408124 Hydrochloride |
| IUPAC Name | 1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea;hydrochloride |
| InChI | InChI=1S/C19H18F2N4O.ClH/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3;/h4-10H,1-3H3,(H2,22,23,24,26);1H |
| InChI Key | DIHXPSGMLOETTI-UHFFFAOYSA-N |
| MDL Number | MFCD19443231 |
| Molecular Formula | C19H19ClF2N4O |
| Molecular Weight | 392.8302 |
| SMILES | C12=CC(F)=CC(F)=C1N=C(C)C=C2NC(=O)NC1=CC=C(C=C1)N(C)C.[H]Cl |
| Synonyms | SB-408124 (Hydrochloride),
1431697-90-3,
SB-408124 Hydrochloride,
C19H18F2N4O.ClH,
3024AH,
AKOS030526528,
CS-1073,
HY-76612,
W-5807,
SB 408124 Hydrochloride;SB408124 Hydrochloride,
1-(6,8-Difluoro-2-methylquinolin-4-yl)-3-(4-(dimethylamino)phenyl)urea hydrochloride,
DIHXPSGMLOETTI-UHFFFAOYSA-N,
A15231,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.835g/mol |
| Monoisotopic Mass | 392.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number