2D structurePubChem CID 10559369
Identita
3-Acetyltropine
Neuvedeno · C10H17NO2
01Identita
| Lazychem ID | LC-47191 |
|---|---|
| CAS RN | Neuvedeno |
| PubChem CID | 10559369 |
| Molecular formula | C10H17NO2 |
| Molecular weight | 183.25 g/mol |
| IUPAC name | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate |
| InChIKey | MDIDMOWWLBGYPG-ULKQDVFKSA-N |
02Struktura a stereochemie
2D structurePubChem CID 10559369
The parsed structure contains 2 rings, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C |
|---|---|
| InChI | Neuvedeno |
03Stereochemistry
The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
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.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vztahy
API a mateřské léčivo
Neuvedeno
Názvy a vztahy
06Zdroje
- S01PubChem CID 10559369
Structure and machine-readable chemical identifiers.