Ceftibuten

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Systematic / IUPAC Name: (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-4-carboxy-2-butenoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ID: Reference10000

Other Names: Cedax;
Ceftem;
Ceftibutene;
Ceftibuteno;
Ceftibutenum ; more

Formula: C15H14N4O6S2

Spectral Data

Ceftibuten mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2983
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2020 12:02:34 PM
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Identificators

InChI InChI=1S/C15H14N4O6S2/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)/b6-1-/t10-,13-/m1/s1
InChI Key UNJFKXSSGBWRBZ-BJCIPQKHSA-N
Canonical SMILES C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O
CAS
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Other Names Cedax;
Ceftem;
Ceftibutene;
Ceftibuteno;
Ceftibutenum;
Ceprifran;
Keimax;
(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-4-carboxybut-2-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
(6R,7R)-7-[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-4-carboxybut-2-enamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate;
(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

In Other Databases

HMDb HMDB0015485
Wikipedia Cedax
ChEBI CHEBI:3510
PubChem 5282242
ChemSpider 4445419
KEGG C08117
DrugBank DB01415
ChEMBL CHEMBL1605