2D structurePubChem CID 56640796
Identität
Relebactam Impurity 62
Nicht angegeben · C33H63N5O8S
01Identität
| Lazychem ID | LC-40137 |
|---|---|
| CAS RN | Nicht angegeben |
| PubChem CID | 56640796 |
| Molecular formula | C33H63N5O8S |
| Molecular weight | 689.9 g/mol |
| IUPAC name | [(2S,5R)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;tetrabutylazanium |
| InChIKey | PCLLXLIXKHVTBL-KZCZEQIWSA-M |
02Struktur und Stereochemie
2D structurePubChem CID 56640796
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)[O-] |
|---|---|
| InChI | Nicht angegeben |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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 in Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen und Beziehungen
API und Ausgangsarzneistoff
Nicht angegeben
Namen und Beziehungen
06Quellen
- S01PubChem CID 56640796
Structure and machine-readable chemical identifiers.