API reference

Sitagliptin phosphate anhydrous

CAS number
1269630-53-6
Molecular formula
C16H18F6N5O5P
Molecular weight
505.31 g/mol
Sitagliptin phosphate anhydrous — 2D structure
2D structure (PubChem)

Identifiers

IUPAC name
(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
InChIKey
IQFYVLUXQXSJJN-SBSPUUFOSA-N
SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.OP(=O)(O)O
PubChem CID
6451150

Also known as

sitagliptin phosphate anhydrous · Sitagliptin (phosphate) · Sitagliptin phosphate (JAN) · MK 431

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