2D structurePubChem CID 854067
Identitate
(-)-Synephrine
Nu este indicat · C9H13NO2
01Identitate
| Lazychem ID | LC-50219 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 854067 |
| Molecular formula | C9H13NO2 |
| Molecular weight | 167.20 g/mol |
| IUPAC name | 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol |
| InChIKey | YRCWQPVGYLYSOX-VIFPVBQESA-N |
02Structură și stereochimie
2D structurePubChem CID 854067
The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 1 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | CNC[C@@H](C1=CC=C(C=C1)O)O |
|---|---|
| InChI | Nu este indicat |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
2 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 7172
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 854067
Structure and machine-readable chemical identifiers.