Products 945261-45-0

CAS 945261-45-0 is the registry number for Sitagliptin Impurity 104. Offered by: Chemat Brand. Available pack sizes: on request.

Sitagliptin Impurity 104
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(3R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (CAS 945261-45-0) is a chemical compound with the molecular formula C16H17F4N5O and a molecular weight of 371.33 g/mol. IUPAC name: (3R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one. InChIKey: ZLZZDLNHNLSAJF-LLVKDONJSA-N.

Identity
Molecular formulaC16H17F4N5O
Molecular weight371.33 g/mol
IUPAC name(3R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
InChIKeyZLZZDLNHNLSAJF-LLVKDONJSA-N
SMILESC1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC=CC=C3F)N

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(3R)-3-amino-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one C16H17F4N5O