| CAS Number | 1352610-25-3 |
| Catalog Number | AG01EO6K(AGN-PC-3H4689) |
| Chemical Name | Vactosertib HCl |
| IUPAC Name | 2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;hydrochloride |
| InChI | InChI=1S/C22H18FN7.ClH/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23;/h2-10,12-13,24H,11H2,1H3,(H,28,29);1H |
| InChI Key | UDRJLVATGDHMJM-UHFFFAOYSA-N |
| MDL Number | MFCD31619301 |
| Molecular Formula | C22H19ClFN7 |
| Molecular Weight | 435.8846 |
| SMILES | CC1=CC=CC(C2=C(C3=CN4C(C=C3)=NC=N4)N=C(CNC5=CC=CC=C5F)N2)=N1.[H]Cl |
| Synonyms | Vactosertib (Hydrochloride),
EW-7197 HCl,
1352610-25-3,
Vactosertib Hydrochloride,
CHEMBL3260908,
HY-19928A,
CS-0040677,
|
| Complexity | 566 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 435.891g/mol |
| Monoisotopic Mass | 435.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number