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Chemical structure of Vildagliptin dihydrate

GC31492

Vildagliptin dihydrate

Also listed as Vildagliptin dihydrate (LAF237 dihydrate)

Vildagliptin dihydrate (LAF237 dihydrate) (LAF237 dihydrate) is a potent, stable, selective dipeptidyl peptidase IV (DPP-IV) inhibitor with an IC50 of 3·5 nM in human Caco-2 cells

ChemicalCAS2133364-01-7MW339.43FormulaC17H29N3O4
CAS number
2133364-01-7
Molecular weight
339.43
Formula
C17H29N3O4
Solubility
Soluble in DMSO
InChIKey
MVOBUCAQTXEOGS-XQOPLDTQSA-N
Catalogue number
GC31492
Brand
GLPBIO
Computed properties PubChem CID 167996054 · TPSA 78.4 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
78.4 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24

SMILES C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C#N.O.O

Computed descriptors from PubChem (CID 167996054), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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