2D structurePubChem CID 4888
Tożsamość
Pranoprofen
CAS 52549-17-4 · C15H13NO3
01Tożsamość
| Lazychem ID | LC-101214 |
|---|---|
| CAS RN | 52549-17-4 |
| PubChem CID | 4888 |
| Molecular formula | C15H13NO3 |
| Molecular weight | 255.27 g/mol |
| IUPAC name | 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid |
| InChIKey | TVQZAMVBTVNYLA-UHFFFAOYSA-N |
02Struktura i stereochemia
2D structurePubChem CID 4888
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O |
|---|---|
| InChI | Nie podano |
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.
04Status w Indiach
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nazwy i powiązania
API i lek macierzysty
Nie podano
Nazwy i powiązania
- pranoprofen
- 52549-17-4
- pyranoprofen
- Pranoprofeno
- Pranoprofene
- Pranoprofenum
- Elicapric
- DTXSID1023497
- NSC-759832
- 2R7O1ET613
- DTXCID603497
- alpha-Methyl-5H-(1)benzopyrano(2,3-b)pyridine-7-acetic acid
06Źródła
- S01PubChem CID 4888
Structure and machine-readable chemical identifiers.