Account (1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride dihydrate
- Catalog No. :
- ACWIHD584
- CAS No. :
- 1073057-20-1
- Molecular Formula :
- C18H30ClN3O4
- Molecular Weight :
- 387.91
IUPAC Name:(1S,3S,5S)-2-((2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride dihydrate
![(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride dihydrate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride dihydrate |
|---|---|
| IUPAC Name | (1S,3S,5S)-2-((2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride dihydrate |
| Molecular Formula | C18H30ClN3O4 |
| Molecular Weight | 387.91 |
| SMILES | N#C[C@H]1N(C([C@@H](N)C2(C3)CC4(O)CC3CC(C4)C2)=O)[C@@]5([H])C[C@@]5([H])C1.[H]Cl.[H]O[H].[H]O[H] |
| InChI Key | AJXATZPZZXZZRE-ZEGDOHPJSA-N |
| Synonym | Saxagliptin HCl hydrate;(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride dihydrate;Saxagliptin Hydrochloride(Dihydrate) Refrence standard |
| CAS No. | 1073057-20-1 |
| PubChem CID | 91617922 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACWIHD584 Molecular Building Block Synthetic Route
(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile monohydrate
(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride hydrate