Products 847445-81-2

CAS 847445-81-2 is the registry number for Sitagliptin Impurity K. Offered by: Chemat Brand. Available pack sizes: on request.

Sitagliptin Impurity K
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one (CAS 847445-81-2) is a chemical compound with the molecular formula C16H13F6N5O and a molecular weight of 405.30 g/mol. IUPAC name: 3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one. InChIKey: RLSFDUAUKXKPCZ-UHFFFAOYSA-N.

Identity
Molecular formulaC16H13F6N5O
Molecular weight405.30 g/mol
IUPAC name3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
InChIKeyRLSFDUAUKXKPCZ-UHFFFAOYSA-N
SMILESC1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C=C(CC3=CC(=C(C=C3F)F)F)N

Computed by PubChem (NCBI)

Synonyms: Sitagliptin Impurity 14
Related forms of this compound
(Z)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one C16H13F6N5O
(Z)-3-amino-1-[5,5,6,6-tetradeuterio-3-(trifluoromethyl)-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one C16H13F6N5O