Products 823817-57-8

CAS 823817-57-8 is the registry number for rac-Sitagliptin Phosphate, >95% (HPLC). Offered by: TRC. Available pack sizes: 1mg.

rac-Sitagliptin Phosphate, >95% (HPLC)
TRC
  • size: 1mg
  • Variants: 1
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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)butan-1-one;phosphoric acid (CAS 823817-57-8) is a chemical compound with the molecular formula C16H18F6N5O5P and a molecular weight of 505.31 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)butan-1-one;phosphoric acid. InChIKey: IQFYVLUXQXSJJN-UHFFFAOYSA-N.

Identity
Molecular formulaC16H18F6N5O5P
Molecular weight505.31 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)butan-1-one;phosphoric acid
InChIKeyIQFYVLUXQXSJJN-UHFFFAOYSA-N
SMILESC1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.OP(=O)(O)O

Computed by PubChem (NCBI)

Synonyms: Sitagliptin Phosphate, (+/-)-, IQFYVLUXQXSJJN-UHFFFAOYSA-N, Sitagliptin (S)-Isomer Phosphate salt/Sitagliptin EP Impurity A
Related forms of this compound
(3S)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid C16H18F6N5O5P
(3R)-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)butan-1-one;phosphoric acid C16H18F6N5O5P