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Ceftibuten

CAT: 0607-B3442-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B3442-10Size:10 mg
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Description
third-generation cephalosporin antibiotic
CAS Number
97519-39-6
Product Name Alternative
(6R,7R)-7-((Z)-((Z)-4-carboxy-1-hydroxy-2-(2-imino-2,3-dihydrothiazol-4-yl)but-2-en-1-ylidene)amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Field of Research
Microbiology & Virology Antibiotic
Purity
0.98
Solubility
insoluble in H2O; insoluble in EtOH; ≥105.2 mg/mL in DMSO
Smiles
N=C1NC(C(/C(O)=N/[C@]([C@]2([H])N3C(C(O)=O)=CCS2)([H])C3=O)=C([H])/CC(O)=O)=CS1
Molecular Formula
C15H14N4O6S2
Molecular Weight
410.42
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ceftibuten

Ceftibuten is a third-generation cephalosporin antibiotic with a [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino substituent at the 7 position of the cephem skeleton. An orally-administered agent, ceftibuten is used as the dihydrate to treat urinary-tract and respiratory-tract infections. It has a role as an antibacterial drug. It is a cephalosporin and a dicarboxylic acid.

CAS Number97519-39-6
PubChem CID5282242
IUPAC Name(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
Molecular FormulaC15H14N4O6S2
Molecular Weight410.4
XLogP-0.3
Topological Polar Surface Area216
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity755
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
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
InChIKey
UNJFKXSSGBWRBZ-BJCIPQKHSA-N
Chemical Structure
2D Structure
2D structure of Ceftibuten
CAS: 97519-39-6
CID: 5282242
Formula: C15H14N4O6S2
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass410.03547653
Monoisotopic Mass410.03547653
Topological Polar Surface Area216 Ų
Heavy Atom Count27
Formal Charge0
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FC176429-01Ceftibuten
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89967603Ceftibuten dihydrate
90027077-50mgCeftibuten anhydrous
GA7818-25mgCeftibuten hydrate
AR-C06805-01Ceftibuten-13C4
HY-B0698BCeftibuten (monohydrate)

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