Products 2446799-72-8

CAS 2446799-72-8 is the registry number for Linagliptin Impurity 64. Offered by: Chemat Brand. Available pack sizes: on request.

Linagliptin Impurity 64
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2-[(4-methylquinazolin-2-yl)methoxy]purin-6-one (CAS 2446799-72-8) is a chemical compound with the molecular formula C25H28N8O2 and a molecular weight of 472.5 g/mol. IUPAC name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2-[(4-methylquinazolin-2-yl)methoxy]purin-6-one. InChIKey: WVNWHFHJDXLANG-QGZVFWFLSA-N.

Identity
Molecular formulaC25H28N8O2
Molecular weight472.5 g/mol
IUPAC name8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2-[(4-methylquinazolin-2-yl)methoxy]purin-6-one
InChIKeyWVNWHFHJDXLANG-QGZVFWFLSA-N
SMILESCC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=NC2=O)OCC4=NC5=CC=CC=C5C(=N4)C)C

Computed by PubChem (NCBI)

Synonyms: Linagliptin Impurity 81, Linagliptin Impurity 122
Isomers (same molecular formula)
7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-[[(3S)-piperidin-3-yl]amino]purine-2,6-dione C25H28N8O2
8-[(3R)-3-amino-2,2,6,6-tetradeuteriopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione C25H28N8O2
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione C25H28N8O2
8-[(3S)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione C25H28N8O2
7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-[[(3R)-piperidin-3-yl]amino]purine-2,6-dione C25H28N8O2
8-[(3R)-3-aminopiperidin-1-yl]-7-buta-1,2-dienyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione C25H28N8O2
8-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-7-(4,4,4-trideuterio(413C)but-2-ynyl)purine-2,6-dione C25H28N8O2
8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione C25H28N8O2
8-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-7-(4,4,4-trideuteriobut-2-ynyl)purine-2,6-dione C25H28N8O2
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-6-[(4-methylquinazolin-2-yl)methoxy]purin-2-one C25H28N8O2