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Chemical structure of Vildagliptin Carboxy Acid Metabolite Trifluoroacetate

GC45144

Vildagliptin Carboxy Acid Metabolite Trifluoroacetate

Also listed as Vildagliptin carboxylic acid metabolite (trifluoroacetate salt)

Vildagliptin carboxylic acid metabolite is the major metabolite of the dipeptidyl peptidase 4 (DPP-4) inhibitor vildagliptin in humans

ChemicalCAS565453-41-0MW436.4FormulaC17H26N2O4•CF3COOH
CAS number
565453-41-0
Molecular weight
436.4
Formula
C17H26N2O4•CF3COOH
Solubility
Soluble in DMSO
InChIKey
ZYSYESQESYWANO-CSDSSYKASA-N
Catalogue number
GC45144
Brand
GLPBIO
Computed properties PubChem CID 137699681 · TPSA 127 Ų · H-bond donors 4 · H-bond acceptors 10
TPSA
127 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
30

SMILES C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C(=O)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 137699681), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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