Products 2489212-72-6

CAS 2489212-72-6 appears in our catalog under these names: Linagliptin Impurity 17, Linagliptin Impurity 65. Offered by: Chemat Brand. Available pack sizes: on request.

Linagliptin Impurity 17
Chemat Brand
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  • Variants: 1
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Linagliptin Impurity 65
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

7-but-2-ynyl-8-[(3R)-3-[[[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]amino]methylamino]piperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione (CAS 2489212-72-6) is a chemical compound with the molecular formula C51H56N16O4 and a molecular weight of 957.1 g/mol. IUPAC name: 7-but-2-ynyl-8-[(3R)-3-[[[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]amino]methylamino]piperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione. InChIKey: ALCFTRXZXIHBKC-VSJLXWSYSA-N.

Identity
Molecular formulaC51H56N16O4
Molecular weight957.1 g/mol
IUPAC name7-but-2-ynyl-8-[(3R)-3-[[[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]amino]methylamino]piperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
InChIKeyALCFTRXZXIHBKC-VSJLXWSYSA-N
SMILESCC#CCN1C2=C(N=C1N3CCC[C@H](C3)NCN[C@@H]4CCCN(C4)C5=NC6=C(N5CC#CC)C(=O)N(C(=O)N6C)CC7=NC8=CC=CC=C8C(=N7)C)N(C(=O)N(C2=O)CC9=NC1=CC=CC=C1C(=N9)C)C

Computed by PubChem (NCBI)

Synonyms: Linagliptin dimer, Linagliptin Impurity 65, Linagliptin Impurity 88
Isomers (same molecular formula)
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[[4-[2-[[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]amino]ethyl]quinazolin-2-yl]methyl]-3-methylpurine-2,6-dione C51H56N16O4