| CAS Number | 1123838-51-6 |
| Catalog Number | AG008TOU |
| Chemical Name | Glesatinib (hydrochloride) |
| IUPAC Name | N-[[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide;hydrochloride |
| InChI | InChI=1S/C31H27F2N5O3S2.ClH/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19;/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42);1H |
| InChI Key | TUVXGVPWXBWWEP-UHFFFAOYSA-N |
| MDL Number | MFCD30344661 |
| Molecular Formula | C31H28ClF2N5O3S2 |
| Molecular Weight | 656.1655 |
| SMILES | Cl.C1(CC(NC(NC2=CC=C(OC3C=CN=C4C=C(C5=NC=C(CNCCOC)C=C5)SC4=3)C(F)=C2)=S)=O)=CC=C(F)C=C1 |
| Synonyms | Glesatinib hydrochloride,
Glesatinib (hydrochloride),
1123838-51-6,
Glesatinib HCl,
EX-A2566,
HY-19642A,
AKOS030526258,
CS-5530,
Glesatinib hydrochloride; MGCD265 hydrochloride,
N-((3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yl)oxy)phenyl)carbamothioyl)-2-(4-fluorophenyl)acetamide hydrochloride,
A16257,
|
| Complexity | 902 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 655.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 656.164g/mol |
| Monoisotopic Mass | 655.129g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 158A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number