2D structurePubChem CID 181817
Identitate
(-)-Ketorolac
Nu este indicat · C15H13NO3
01Identitate
| Lazychem ID | LC-112893 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 181817 |
| Molecular formula | C15H13NO3 |
| Molecular weight | 255.27 g/mol |
| IUPAC name | (1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid |
| InChIKey | OZWKMVRBQXNZKK-NSHDSACASA-N |
02Structură și stereochimie
2D structurePubChem CID 181817
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)[C@H]1C(=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 181818
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 181817
Structure and machine-readable chemical identifiers.