2D structurePubChem CID 98459055
Identitate
IpratropiuM BroMide IMpurity E
Nu este indicat · C19H27NO3
01Identitate
| Lazychem ID | LC-36542 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 98459055 |
| Molecular formula | C19H27NO3 |
| Molecular weight | 317.4 g/mol |
| IUPAC name | [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate |
| InChIKey | VORSMCHHJRVORT-UJJTZGENSA-N |
02Structură și stereochimie
2D structurePubChem CID 98459055
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CC(C)N1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3 |
|---|---|
| InChI | Nu este indicat |
03Stereochemistry
The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction
Published same-connectivity configurations
5 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 93981443
![Two-dimensional chemical structure of (1R,3r,5S)-8-(1-Methylethyl)-8-aza-bicyclo[3.2.1]oct-3-yl (2RS)-3-hydroxy-2-phenyl-propanoate](/structures/pubchem/93981443-300.png)
(1R,3r,5S)-8-(1-Methylethyl)-8-aza-bicyclo[3.2.1]oct-3-yl (2RS)-3-hydroxy-2-phenyl-propanoate
CAS not listed
VORSMCHHJRVORT-WFFDWFOESA-N
3 defined, 1 unassigned centres
2D structurePubChem CID 60068903
![Two-dimensional chemical structure of (S)-(1R,3r,5S)-8-Isopropyl-8-azabicyclo[3.2.1]octan-3-yl 3-Hydroxy-2-phenylpropanoate](/structures/pubchem/60068903-300.png)
(S)-(1R,3r,5S)-8-Isopropyl-8-azabicyclo[3.2.1]octan-3-yl 3-Hydroxy-2-phenylpropanoate
CAS not listed
VORSMCHHJRVORT-VHYNJHTPSA-N
1 defined, 2 unassigned centres
2D structurePubChem CID 20625249
2D structurePubChem CID 10958098
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.
04Statut în India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Denumiri și relații
API și medicament părinte
Nu este indicat
Denumiri și relații
06Surse
- S01PubChem CID 98459055
Structure and machine-readable chemical identifiers.