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Chemical structure of Ceftibuten dihydrate

GC35647

Ceftibuten dihydrate

Also known as (6R,7R)-7-[[(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;dihydrate

Ceftibuten (Sch-39720) dihydrate, an antibiotic, is an orally active cephalosporin, possesses potent activity in vitro against a wide range of gram-negative and certain gram-positive pathogens

ChemicalCAS118081-34-8MW446.46FormulaC15H18N4O8S2
CAS number
118081-34-8
Molecular weight
446.46
Formula
C15H18N4O8S2
Solubility
DMSO： 100 mg/mL (223·98 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
SSWTVBYDDFPFAF-DKOGRLLHSA-N
Catalogue number
GC35647
Brand
GLPBIO
Computed properties PubChem CID 5282241 · TPSA 218 Ų · H-bond donors 6 · H-bond acceptors 12
TPSA
218 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
29

SMILES C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\CC(=O)O)/C3=CSC(=N3)N)C(=O)O.O.O

Computed descriptors from PubChem (CID 5282241), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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