Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:34618 - ceftibuten dihydrate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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.
View more via ChEBI Ontology
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
(6
R
,7
R
)-
7-
{[(2
Z
)-
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-
{[(2
Z
)-
2-
(2-
amino-
1,3-
thiazol-
4-
yl)-
4-
carboxybut-
2-
enoyl]amino}-
3,4-
didehydrocepham-
4-
carboxylic acid—water(1/2)
Synonyms
Sources
(6
R
,7
R
)-
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·2H
2
O
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