Products 1391554-42-9

CAS 1391554-42-9 is the registry number for Sitagliptin Impurity 115. Offered by: Chemat Brand. Available pack sizes: on request.

Sitagliptin Impurity 115
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl (3S)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate (CAS 1391554-42-9) is a chemical compound with the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. IUPAC name: methyl (3S)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate. InChIKey: BBGGHUOAAZMMET-VIFPVBQESA-N.

Identity
Molecular formulaC13H14F3NO3
Molecular weight289.25 g/mol
IUPAC namemethyl (3S)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate
InChIKeyBBGGHUOAAZMMET-VIFPVBQESA-N
SMILESCC(=O)N[C@@H](CC1=CC(=C(C=C1F)F)F)CC(=O)OC

Computed by PubChem (NCBI)

Synonyms: Methyl (S)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate, (S)-methyl 3-acetamido-4-(2,4,5-trifluorophenyl)butanoate, methyl (3S)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate
Related forms of this compound
methyl (3R)-3-acetamido-4-(2,4,5-trifluorophenyl)butanoate C13H14F3NO3
Isomers (same molecular formula)
tert-butyl N-[2-formyl-4-(trifluoromethyl)phenyl]carbamate C13H14F3NO3
tert-butyl N-[2-formyl-5-(trifluoromethyl)phenyl]carbamate C13H14F3NO3
1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxylic acid C13H14F3NO3
tert-butyl N-[4-formyl-3-(trifluoromethyl)phenyl]carbamate C13H14F3NO3