2D structurePubChem CID 44184259
Identité
Relebactam Impurity 91
Non indiqué · C12H19FN4O6S
01Identité
| Lazychem ID | LC-41301 |
|---|---|
| CAS RN | Non indiqué |
| PubChem CID | 44184259 |
| Molecular formula | C12H19FN4O6S |
| Molecular weight | 366.37 g/mol |
| IUPAC name | [(2S,5R)-2-[[(3S,4R)-3-fluoropiperidin-4-yl]carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate |
| InChIKey | BFXWSEXOZZPNPH-RGOKHQFPSA-N |
02Structure et stéréochimie
2D structurePubChem CID 44184259
The parsed structure contains 3 rings, includes aliphatic carbon, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 4 |
|---|---|
| Ring count | 3 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N[C@@H]3CCNC[C@@H]3F |
|---|---|
| InChI | Non indiqué |
03Stereochemistry
The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction
Published same-connectivity configurations
3 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.
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 en Inde
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Noms et relations
API et médicament parent
Non indiqué
Noms et relations
06Sources
- S01PubChem CID 44184259
Structure and machine-readable chemical identifiers.