Durlobactam
[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl] hydrogen sulfate
Molecular Identity
Durlobactam
[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl] hydrogen sulfate
PubChem CID: 89851852
Durlobactam is a member of the class of azabicycloalkanes that is (1R,2S,5R)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide in which the amino hydrogen at position 6 is replaced by a sulfooxy group. It has a role as an EC 3.5.2.6 (beta-lactamase) inhibitor and an antibacterial drug. It is a primary carboxamide, a monocarboxylic acid amide, a hydroxylamine O-sulfonic acid and an azabicycloalkane. It is a conjugate acid of a durlobactam(1-).
2D Structure
Properties
C8H11N3O6S
Molecular Formula
277.26
Molecular Weight
g/mol
277.0369
Exact Mass
Da
-2
XLogP
Drug-like (Lipinski: < 5)
139
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
536
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Durlobactam1467829-71-5PSA33KO9WAEXT2514durlobactamumETX-2514Sulfuric acid, mono((2S,5R)-2-(aminocarbonyl)-3-methyl-7-oxo-1,6-diazabicyclo(3.2.1)oct-3-en-6-yl) ester(2S,5R)-2-CARBAMOYL-3-METHYL-7-OXO-1,6-DIAZABICYCLO(3.2.1)OCT-3-EN-6-YL SULFATERefChem:56891Etx2514Durlobactam [INN]Durlobactam [USAN]UNII-PSA33KO9WADurlobactam [USAN:INN]WHO 10824
Data from PubChem (NCBI)
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Trials and conditions connected to Durlobactam
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