ceftibuten
(6R,7R)-7-[[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
Also Known As: ceftibuten|Seftem|Spectrum_001794|Spectrum2_001684|Spectrum3_001007|Spectrum4_001135|KBioGR_001649|KBioSS_002287|SPBio_001608|KBio2_002285|KBio2_004853|KBio2_007421|KBio3_001953|(6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxy-but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[[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
| Molecular Formula | C15H14N4O6S2 |
|---|---|
| Molecular Weight | 410.03546 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.03546 |
| Monoisotopic Mass | 410.03546 |
| Heavy Atoms | 27 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 97519-40-9 |
|---|---|
| SMILES | C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O |
| InChIKey | UNJFKXSSGBWRBZ-ZWNOBZJWSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ceftibuten (CAS 97519-40-9), with molecular formula C15H14N4O6S2 and molecular weight 410.03546 g/mol. IUPAC: (6R,7R)-7-[[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.
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