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CHEBI:85984 - avibactam

ChEBI IDCHEBI:85984
ChEBI Nameavibactam
Stars
DefinitionA 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC7H11N3O6S
Net Charge0
Average Mass265.247
Monoisotopic Mass265.03686
SMILESNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
InChIInChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1
InChIKeyNDCUAPJVLWFHHB-UHNVWZDZSA-N
Wikipedia
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).
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
avibactam (CHEBI:85984) has role antibacterial drug (CHEBI:36047)
avibactam (CHEBI:85984) has role antimicrobial agent (CHEBI:33281)
avibactam (CHEBI:85984) has role EC 3.5.2.6 (β-lactamase) inhibitor (CHEBI:35625)
avibactam (CHEBI:85984) is a azabicycloalkane (CHEBI:38295)
avibactam (CHEBI:85984) is a hydroxylamine O-sulfonic acid (CHEBI:38025)
avibactam (CHEBI:85984) is a monocarboxylic acid amide (CHEBI:29347)
avibactam (CHEBI:85984) is a ureas (CHEBI:47857)
avibactam (CHEBI:85984) is conjugate acid of avibactam(1−) (CHEBI:85988)
Incoming Relation(s)
avibactam(1−) (CHEBI:85988) is conjugate base of avibactam (CHEBI:85984)
IUPAC Name 
(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
Synonyms  Source
NXL104ChemIDplus
NXL 104ChemIDplus
Manual XrefsDatabases
AvibactamWikipedia
4946DrugCentral
Registry NumbersSources
Reaxys:22542284Reaxys
CAS:1192500-31-4ChemIDplus
Citations