Products 1418133-47-7
CAS 1418133-47-7 appears in our catalog under these names: Linagliptin Methyldimer, Linagliptin Impurity T(Linagliptin Methyldimer), Linagliptin Dimer Impurity 2, Linagliptin Methyldimer (>85%), Linagliptin Methyldimer/ 97.23% (existing batch purity). Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Ambeed. Available pack sizes: on request, 10mg, 1mg, 2mg, 5mg, 25mg, 50mg, 100mg.
8-[(3R)-3-aminopiperidin-1-yl]-1-[[4-[[2-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]quinazolin-4-yl]methyl]-4-methyl-1H-quinazolin-2-yl]methyl]-7-but-2-ynyl-3-methylpurine-2,6-dione (CAS 1418133-47-7) is a chemical compound with the molecular formula C50H56N16O4 and a molecular weight of 945.1 g/mol. IUPAC name: 8-[(3R)-3-aminopiperidin-1-yl]-1-[[4-[[2-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]quinazolin-4-yl]methyl]-4-methyl-1H-quinazolin-2-yl]methyl]-7-but-2-ynyl-3-methylpurine-2,6-dione. InChIKey: CEWRYIAJQLCIAT-BZDWUGKRSA-N.
| Molecular formula | C50H56N16O4 |
|---|---|
| Molecular weight | 945.1 g/mol |
| IUPAC name | 8-[(3R)-3-aminopiperidin-1-yl]-1-[[4-[[2-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]quinazolin-4-yl]methyl]-4-methyl-1H-quinazolin-2-yl]methyl]-7-but-2-ynyl-3-methylpurine-2,6-dione |
| InChIKey | CEWRYIAJQLCIAT-BZDWUGKRSA-N |
| SMILES | CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC(C5=CC=CC=C5N4)(C)CC6=NC(=NC7=CC=CC=C76)CN8C(=O)C9=C(N=C(N9CC#CC)N1CCC[C@H](C1)N)N(C8=O)C)C |
Computed by PubChem (NCBI)