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CHEBI:229544 - durlobactam sodium

ChEBI IDCHEBI:229544
ChEBI Namedurlobactam sodium
Stars
DefinitionAn organic sodium salt that is the monosodium salt of durlobactam.
Last Modified6 February 2024
SubmitterAdnan
DownloadsMolfile
FormulaC8H10N3O6S.Na
Net Charge0
Average Mass299.240
Monoisotopic Mass299.01880
SMILESCC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)[O-])[C@@H]1C(N)=O.[Na+]
InChIInChI=1S/C8H11N3O6S.Na/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16;/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16);/q;+1/p-1/t5-,6+;/m1./s1
InChIKeyWHHNOICWPZIYKI-IBTYICNHSA-M
Roles Classification
Biological Roles:
antibacterial drug  A drug used to treat or prevent bacterial infections.
EC 3.5.2.6 (beta-lactamase) inhibitor  An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of β-lactamase (EC 3.5.2.6).
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
durlobactam sodium (CHEBI:229544) has part durlobactam(1−) (CHEBI:229545)
durlobactam sodium (CHEBI:229544) has role antibacterial drug (CHEBI:36047)
durlobactam sodium (CHEBI:229544) has role EC 3.5.2.6 (β-lactamase) inhibitor (CHEBI:35625)
durlobactam sodium (CHEBI:229544) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
xacduro (CHEBI:229547) has part durlobactam sodium (CHEBI:229544)
IUPAC Name 
sodium ({[(1R,2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}sulfonyl)oxidanide
Synonym  Source
ETX2514 sodiumDrugBank
Manual XrefsDatabases
DBSALT003190DrugBank
D11592KEGG DRUG
Registry NumbersSources
CAS:1467157-21-6KEGG DRUG
Citations