2D structurePubChem CID 6451148
Identidad
CX614
No indicado · C13H13NO4
01Identidad
| Lazychem ID | LC-84058 |
|---|---|
| CAS RN | No indicado |
| PubChem CID | 6451148 |
| Molecular formula | C13H13NO4 |
| Molecular weight | 247.25 g/mol |
| IUPAC name | 4,7,11-trioxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-trien-17-one |
| InChIKey | RQEPVMAYUINZRE-UHFFFAOYSA-N |
02Estructura y estereoquímica
2D structurePubChem CID 6451148
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1CC2N(C1)C(=O)C3=CC4=C(C=C3O2)OCCO4 |
|---|---|
| InChI | No 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 en India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nombres y relaciones
API y fármaco de origen
No indicado
Nombres y relaciones
06Fuentes
- S01PubChem CID 6451148
Structure and machine-readable chemical identifiers.