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CHEBI:85982 - avibactam sodium

ChEBI IDCHEBI:85982
ChEBI Nameavibactam sodium
Stars
DefinitionAn organic sodium salt that is the monosodium salt of avibactam. Used in combination with ceftazidime pentahydrate for the treatment of complicated urinary tract infections including pyelonephritis.
Last Modified10 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC7H10N3O6S.Na
Net Charge0
Average Mass287.229
Monoisotopic Mass287.01880
SMILESNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C7H11N3O6S.Na/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);/q;+1/p-1/t4-,5+;/m1./s1
InChIKeyRTCIKUMODPANKX-JBUOLDKXSA-M
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 sodium (CHEBI:85982) has part avibactam(1−) (CHEBI:85988)
avibactam sodium (CHEBI:85982) has role antibacterial drug (CHEBI:36047)
avibactam sodium (CHEBI:85982) has role antimicrobial agent (CHEBI:33281)
avibactam sodium (CHEBI:85982) has role EC 3.5.2.6 (β-lactamase) inhibitor (CHEBI:35625)
avibactam sodium (CHEBI:85982) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
Avycaz (CHEBI:85989) has part avibactam sodium (CHEBI:85982)
IUPAC Name 
sodium ({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxy}sulfonyl)oxidanide
Synonym  Source
NXL 104ChemIDplus
Manual XrefsDatabases
D10340KEGG DRUG
AvibactamWikipedia
CA2716914Patent
Registry NumbersSources
Reaxys:15577038Reaxys
CAS:1192491-61-4KEGG DRUG
CAS:1192491-61-4ChemIDplus
Citations