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CHEBI:34618 - ceftibuten dihydrate

ChEBI IDCHEBI:34618
ChEBI Nameceftibuten dihydrate
Stars
DefinitionThe dihydrate of ceftibuten. It is used as an orally administered treatment for urinary-tract and respiratory-tract infections.
Last Modified7 May 2010
DownloadsMolfile
FormulaC15H14N4O6S2.2H2O
Net Charge0
Average Mass446.463
Monoisotopic Mass446.05661
SMILESO.O.[H][C@]12SCC=C(C(=O)O)N1C(=O)[C@H]2NC(=O)/C(=C\CC(=O)O)c1csc(N)n1
InChIInChI=1S/C15H14N4O6S2.2H2O/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25);2*1H2/b6-1-;;/t10-,13-;;/m1../s1
InChIKeySSWTVBYDDFPFAF-DKOGRLLHSA-N
Roles Classification
Biological Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
ceftibuten dihydrate (CHEBI:34618) has part ceftibuten (CHEBI:3510)
ceftibuten dihydrate (CHEBI:34618) has role antibacterial drug (CHEBI:36047)
ceftibuten dihydrate (CHEBI:34618) is a hydrate (CHEBI:35505)
IUPAC Names 
7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-3,4-didehydrocepham-4-carboxylic acid—water(1/2)
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid—water (1/2)
Synonyms  Source
ceftibutenKEGG DRUG
(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrateDrugBank
ceftibuten dihydrateKEGG DRUG
ceftibuten·2H2OChEBI
Manual XrefsDatabases
D02121KEGG DRUG
DB01415DrugBank
Registry NumbersSources
CAS:118081-34-8KEGG DRUG