1. Primary Information
| English name: | Saxagliptin Hydrochloride |
| CAS No.: | 709031-78-7 |
| Molecular formula: | C18H26ClN3O2 |
| Molecular weight: | 351.9 g/mol |
| SMILES: | C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N.Cl |
| Structural class: | |
| Other identifiers: |
3-hydroxyadamantylglycine-4,5-methanoprolinenitrile hydrate BMS 477118 BMS-477118 BMS477118 Onglyza |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | BR,98% | 160 | RT | in stock | - |
| Kehua Intelligence | 200mg | BR,98% | 320 | RT | in stock | - |
| Kehua Intelligence | 1g | BR,98% | 1120 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrochloride
4.2 InChI
InChI=1S/C18H25N3O2.ClH/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;1H/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1
4.3 InChIKey
TUAZNHHHYVBVBR-NHKADLRUSA-N
4.4 Canonical SMILES
C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N.Cl
4.5 Isomeric SMILES
C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N.Cl
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
