Identität

Relebactam Impurity 117

Nicht angegeben · C13H22N4O6S

01Identität

Lazychem ID	LC-41306
CAS RN	Nicht angegeben
PubChem CID	44182451
Molecular formula	C13H22N4O6S
Molecular weight	362.40 g/mol
IUPAC name	[(2S,5R)-2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
InChIKey	XQEJZAYKSCNDRE-ZOCYIJKUSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Relebactam Impurity 117 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	CN(C)C1CCN(C1)C(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.