Products 2413100-40-8
CAS 2413100-40-8 is the registry number for PD-1-IN-25. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-[[4-chloro-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-difluoromethoxy]-2-[[[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]methyl]phenoxy]methyl]benzonitrile (CAS 2413100-40-8) is a chemical compound with the molecular formula C37H35ClF2N2O9 and a molecular weight of 725.1 g/mol. IUPAC name: 3-[[4-chloro-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-difluoromethoxy]-2-[[[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]methyl]phenoxy]methyl]benzonitrile. InChIKey: XWDCDNGWIWXWIW-SGINOMJUSA-N.
| Molecular formula | C37H35ClF2N2O9 |
|---|---|
| Molecular weight | 725.1 g/mol |
| IUPAC name | 3-[[4-chloro-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-difluoromethoxy]-2-[[[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]methyl]phenoxy]methyl]benzonitrile |
| InChIKey | XWDCDNGWIWXWIW-SGINOMJUSA-N |
| SMILES | CC1=C(C=CC=C1C(OC2=C(C=C(C(=C2)OCC3=CC(=CC=C3)C#N)CN[C@H]4[C@H]([C@@H]([C@H](OC4O)CO)O)O)Cl)(F)F)C5=CC6=C(C=C5)OCCO6 |
Computed by PubChem (NCBI)
Synonyms:
orb2565564