Relebactam
[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular Identity
Relebactam
[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
PubChem CID: 44129647
2D Structure
Properties
C12H20N4O6S
Molecular Formula
348.38
Molecular Weight
g/mol
348.1104
Exact Mass
Da
-3.6
XLogP
Drug-like (Lipinski: < 5)
137
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
585
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3Isomeric SMILES
SMILES: C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3Synonyms(20)
Relebactam1174018-99-5MK-7655Relebactam anhydrous(-)-Relebactam anhydrous1OQF7TT3PF[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfateMK7655Sulfuric acid mono-((2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diaza-bicyclo(3.2.1)oct-6-yl) ester1174020-13-3RECARBRIO COMPONENT RELEBACTAMMK-7655A COMPONENT RELEBACTAMrelebactamumRECARBRIO COMPONENT RELEBACTAM MONOHYDRATE((2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo(3.2.1)octan-6-yl) hydrogen sulfate
Data from PubChem (NCBI)
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