2D structurePubChem CID 11243969
Ταυτότητα
Saxagliptin
Δεν αναφέρεται · C18H25N3O2
01Ταυτότητα
| Lazychem ID | LC-78052 |
|---|---|
| CAS RN | Δεν αναφέρεται |
| PubChem CID | 11243969 |
| Molecular formula | C18H25N3O2 |
| Molecular weight | 315.4 g/mol |
| IUPAC name | (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile |
| InChIKey | QGJUIPDUBHWZPV-SGTAVMJGSA-N |
02Δομή και στερεοχημεία
2D structurePubChem CID 11243969
The parsed structure contains 6 rings, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 4 |
|---|---|
| Ring count | 6 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N |
|---|---|
| InChI | Δεν αναφέρεται |
03Stereochemistry
The published structure contains 4 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres4Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction
Published same-connectivity configurations
8 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 66576989
![Two-dimensional chemical structure of (1R,3S,5R)-2-((S)-2-Amino-2-((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile](/structures/pubchem/66576989-300.png)
(1R,3S,5R)-2-((S)-2-Amino-2-((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CAS not listed
QGJUIPDUBHWZPV-VFGQHSGRSA-N
6 defined, 2 unassigned centres
2D structurePubChem CID 124222565
![Two-dimensional chemical structure of (1R,3S,5R)-2-[(2R)-2-Amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile](/structures/pubchem/124222565-300.png)
(1R,3S,5R)-2-[(2R)-2-Amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CAS not listed
QGJUIPDUBHWZPV-HLIYLWMNSA-N
6 defined, 2 unassigned centres
2D structurePubChem CID 76328589
2D structurePubChem CID 76328590
2D structurePubChem CID 44590597
2D structurePubChem CID 98431647
![Two-dimensional chemical structure of 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2R)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1R,3R,5R)-](/structures/pubchem/98431647-300.png)
2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2R)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1R,3R,5R)-
CAS not listed
QGJUIPDUBHWZPV-RZRWRXESSA-N
6 defined, 2 unassigned centres
2D structurePubChem CID 124222564
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Κατάσταση στην Ινδία
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ονόματα και σχέσεις
API και μητρικό φάρμακο
Δεν αναφέρεται
Ονόματα και σχέσεις
06Πηγές
- S01PubChem CID 11243969
Structure and machine-readable chemical identifiers.