Sitagliptin Phosphate Monohydrate
(3R)-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;hydrate
Molecular Identity
Sitagliptin Phosphate Monohydrate
(3R)-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;hydrate
PubChem CID: 11591741
2D Structure
Properties
C16H20F6N5O6P
Molecular Formula
523.32
Molecular Weight
g/mol
523.1055
Exact Mass
Da
156
TPSA
May have limited oral absorption
5
H-Bond Donors
15
H-Bond Acceptors
616
Complexity
SMILES
Canonical SMILES
SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)OIsomeric SMILES
SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)OSynonyms(20)
Sitagliptin phosphate monohydrate654671-77-9Sitagliptin phosphate hydrateGlactivsitagliptin monophosphate monohydrateMK-0431ONO-5435TS63EW8X6FSitagliptin monophosphateMK0431DTXSID50904746Sitagliptin monophosphate anhydrousJANUMET COMPONENT SITAGLIPTIN PHOSPHATESTELUJAN COMPONENT SITAGLIPTIN PHOSPHATESTEGLUJAN COMPONENT SITAGLIPTIN PHOSPHATE
Data from PubChem (NCBI)
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Trials and conditions connected to Sitagliptin Phosphate Monohydrate
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