CHEBI:34618 - ceftibuten dihydrate

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ChEBI Name ceftibuten dihydrate
ChEBI ID CHEBI:34618
Definition The dihydrate of ceftibuten. It is used as an orally administered treatment for urinary-tract and respiratory-tract infections.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H18N4O8S2
Net Charge 0
Average Mass 446.45500
Monoisotopic Mass 446.05661
InChI InChI=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
InChIKey SSWTVBYDDFPFAF-DKOGRLLHSA-N
SMILES O.O.[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\c1csc(N)n1)C(O)=O
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing 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
(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)
7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-3,4-didehydrocepham-4-carboxylic acid—water(1/2)
Synonyms Sources
(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 dihydrate DrugBank
ceftibuten KEGG DRUG
ceftibuten dihydrate KEGG DRUG
ceftibuten·2H2O ChEBI
Manual Xrefs Databases
D02121 KEGG DRUG
DB01415 DrugBank
View more database links
Registry Number Type Source
118081-34-8 CAS Registry Number KEGG DRUG
Last Modified
07 May 2010