Nacubactam
[(2S,5R)-2-(2-aminoethoxycarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular Identity
Nacubactam
[(2S,5R)-2-(2-aminoethoxycarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
PubChem CID: 73386748
2D Structure
Properties
C9H16N4O7S
Molecular Formula
324.31
Molecular Weight
g/mol
324.0740
Exact Mass
Da
-4.6
XLogP
Drug-like (Lipinski: < 5)
160
TPSA
May have limited oral absorption
3
H-Bond Donors
8
H-Bond Acceptors
519
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NOCCNIsomeric SMILES
SMILES: C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NOCCNSynonyms(20)
Nacubactam1452458-86-4OP-0595RG-6080FPI-1459RO7079901RG6080RO-7079901832O37V7MZ(1R,2S,5R)-2-((2-aminoethoxy)carbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl hydrogen sulfateSulfuric acid, mono((1R,2S,5R)-2-(((2-aminoethoxy)amino)carbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) esterSulfuric acid, mono((1R,2S,5R)-2-(((2-aminoethoxy)amino)carbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) ester, (-)-Sulfuric acid, mono[(1R,2S,5R)-2-[[(2-aminoethoxy)amino]carbonyl]-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] esternacubactamum(1R,2S,5R)-2-((2-AMINOETHOXY)CARBAMOYL)-7-OXO-1,6-DIAZABICYCLO(3.2.1)OCTAN-6-YL HYDROGEN SULFATE
Data from PubChem (NCBI)
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