Linagliptin Dimer Impurity 2

cas: 1418133-47-7 — see every product listed under this CAS number, including other names

Linagliptin Dimer Impurity 2 (CAS 1418133-47-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULL445
cas1418133-47-7
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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purityNo data
categoryChemicals
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Structural formula: {0} (CAS {1})

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.

Identity
Molecular formulaC50H56N16O4
Molecular weight945.1 g/mol
IUPAC name8-[(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
InChIKeyCEWRYIAJQLCIAT-BZDWUGKRSA-N
SMILESCC#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)

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