2D structurePubChem CID 154059
Identitate
Solifenacin
Nu este indicat · C23H26N2O2
01Identitate
| Lazychem ID | LC-51907 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 154059 |
| Molecular formula | C23H26N2O2 |
| Molecular weight | 362.5 g/mol |
| IUPAC name | [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChIKey | FBOUYBDGKBSUES-VXKWHMMOSA-N |
02Structură și stereochimie
2D structurePubChem CID 154059
The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 6 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5 |
|---|---|
| InChI | Nu este indicat |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
6 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 6098192
2D structurePubChem CID 44404150
![Two-dimensional chemical structure of (3S)-1-azabicyclo[2.2.2]octan-3-yl 1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate](/structures/pubchem/44404150-300.png)
(3S)-1-azabicyclo[2.2.2]octan-3-yl 1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CAS not listed
FBOUYBDGKBSUES-ZMFCMNQTSA-N
1 defined, 1 unassigned centres
2D structurePubChem CID 9885319
2D structurePubChem CID 11155732
2D structurePubChem CID 11567493
Solifenacin EP Impurity H / Solifenacin (1S,3S)-Isomer / (1S,3S)-Solifenacin (Free Base))
CAS 732228-02-3
FBOUYBDGKBSUES-YADHBBJMSA-N
2 defined, 0 unassigned centres
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 154059
Structure and machine-readable chemical identifiers.