| CAS Number | 2070009-64-0 |
| Catalog Number | AG01EOAI(AGN-PC-3H46BB) |
| Chemical Name | GSK2110183 analog 1 (hydrochloride) |
| IUPAC Name | N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C18H16Cl2F2N4OS.ClH/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9;/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27);1H/t10-;/m0./s1 |
| InChI Key | BCVQLTLODHPIJM-PPHPATTJSA-N |
| MDL Number | MFCD28385851 |
| Molecular Formula | C18H17Cl3F2N4OS |
| Molecular Weight | 481.7746 |
| SMILES | C1(C(N[C@@H](CC2=CC=C(F)C(F)=C2)CN)=O)SC(Cl)=C(C2N(C)N=CC=2Cl)C=1.[H]Cl |
| Synonyms | GSK2110183 hydrochloride,
GSK2110183 (hydrochloride),
2070009-64-0,
HY-15966A,
AKOS032945108,
CS-3549,
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 480.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 481.768g/mol |
| Monoisotopic Mass | 480.016g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number