Avibactam
[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular Identity
Avibactam
[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
PubChem CID: 9835049
Avibactam is a member of the class of azabicycloalkanes that is (2S,5R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide in which the amino hydrogen at position 6 is replaced by a sulfooxy group. Used (in the form of its sodium salt) in combination with ceftazidime pentahydrate for the treatment of complicated urinary tract infections including pyelonephritis. It has a role as an antimicrobial agent, an EC 3.5.2.6 (beta-lactamase) inhibitor and an antibacterial drug. It is a monocarboxylic acid amide, a hydroxylamine O-sulfonic acid, an azabicycloalkane and a member of ureas. It is a conjugate acid of an avibactam(1-).
2D Structure
Properties
C7H11N3O6S
Molecular Formula
265.25
Molecular Weight
g/mol
265.0369
Exact Mass
Da
-1.8
XLogP
Drug-like (Lipinski: < 5)
139
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
457
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NIsomeric SMILES
SMILES: C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NSynonyms(20)
Avibactam1192500-31-4NXL104Nxl-104 free acidNXL-104[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfateCHEBI:85984DTXSID901026066ZAVICEFTA COMPONENT AVIBACTAM[(2S,5R)-2-CARBAMOYL-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL]OXIDANESULFONIC ACIDavibactamum((2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo(3.2.1)octan-6-yl) hydrogen sulfate((2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo(3.2.1)octan-6-yl)oxidanesulfonic acidRefChem:560413DTXCID901510324
Data from PubChem (NCBI)
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