2D structurePubChem CID 5152
Identidade
Salmeterol
CAS 89365-50-4 · C25H37NO4
01Identidade
| Lazychem ID | LC-101152 |
|---|---|
| CAS RN | 89365-50-4 |
| PubChem CID | 5152 |
| Molecular formula | C25H37NO4 |
| Molecular weight | 415.6 g/mol |
| IUPAC name | 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol |
| InChIKey | GIIZNNXWQWCKIB-UHFFFAOYSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 5152
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 2 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O |
|---|---|
| InChI | Não indicado |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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.
04Estado na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
- Salmeterol
- 89365-50-4
- Salmeterolum
- 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
- GR 33343X
- SALMATEROL
- SN408D
- DTXSID6023571
- 2I4BC502BT
- DTXCID803571
- 4-(1-hydroxy-2-((6-(4-phenylbutoxy)hexyl)amino)ethyl)-2-(hydroxymethyl)phenol
- Neovent
06Fontes
- S01PubChem CID 5152
Structure and machine-readable chemical identifiers.