Saxagliptin hydrate

CAS Registry Number®

945667-22-1

CAS Name

Saxagliptin hydrate

Molecular Formula

C18H25N3O2.H2O

Cite this Page

Saxagliptin hydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=945667-22-1 (retrieved 2024-11-22) (CAS RN: 945667-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H25N3O2.H2O/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;1H2/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1

InChIKey

InChIKey=AFNTWHMDBNQQPX-NHKADLRUSA-N

SMILES

[C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(N)C34CC5(O)CC(C3)CC(C4)C5.O

Canonical SMILES

N#CC1N(C(=O)C(N)C23CC4CC(CC(O)(C4)C2)C3)C5CC5C1.O

Other Names for this Substance

  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, hydrate (1:1), (1S,3S,5S)-
  • Saxagliptin hydrate
  • Saxagliptin monohydrate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration