Products 1799944-98-1

CAS 1799944-98-1 is the registry number for Alogliptin Impurity 49. Offered by: Chemat Brand. Available pack sizes: on request.

Alogliptin Impurity 49
Chemat Brand
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Structural formula: {0} (CAS {1})

2-[(5-bromo-6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile (CAS 1799944-98-1) is a chemical compound with the molecular formula C13H9BrClN3O2 and a molecular weight of 354.58 g/mol. IUPAC name: 2-[(5-bromo-6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile. InChIKey: OOEIVGBUBVXIEX-UHFFFAOYSA-N.

Identity
Molecular formulaC13H9BrClN3O2
Molecular weight354.58 g/mol
IUPAC name2-[(5-bromo-6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
InChIKeyOOEIVGBUBVXIEX-UHFFFAOYSA-N
SMILESCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2C#N)Cl)Br

Computed by PubChem (NCBI)

Isomers (same molecular formula)
ethyl 11-bromo-6-chloro-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5-carboxylate C13H9BrClN3O2