2D structurePubChem CID 6604909
Identidade
Alx 5407
Não indicado · C24H24FNO3
01Identidade
| Lazychem ID | LC-83723 |
|---|---|
| CAS RN | Não indicado |
| PubChem CID | 6604909 |
| Molecular formula | C24H24FNO3 |
| Molecular weight | 393.4 g/mol |
| IUPAC name | 2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid |
| InChIKey | FDORQEIHOKEJNX-HSZRJFAPSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 6604909
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CN(CC[C@H](C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O |
|---|---|
| InChI | Não indicado |
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 5311283
![Two-dimensional chemical structure of 2-[[3-(4-Fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid](/structures/pubchem/5311283-300.png)
2-[[3-(4-Fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid
CAS not listed
FDORQEIHOKEJNX-UHFFFAOYSA-N
0 defined, 1 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.
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
06Fontes
- S01PubChem CID 6604909
Structure and machine-readable chemical identifiers.