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Chemistry

Mol. Mass

315.41

ALogP

1.16

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C34CC5CC(CC(O)(C5)C3)C4
  • InChIKey: QGJUIPDUBHWZPV-SGTAVMJGSA-N
    1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201743   ChEMBL
saxagliptin hydrochloride

CHEMBL2103745   ChEMBL
saxagliptin

CHEMBL385517   ChEMBL
saxagliptin

8I7IO46IVQ   NCATS
saxagliptin anhydrous *

Saxagliptin   Wikipedia

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