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Ceftibuten (dihydrate)

CAT: 0804-HY-B0698A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0698A-01Size:5 mg
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Description
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[1][2].
CAS Number
118081-34-8
Product Name Alternative
Sch-39720 (dihydrate)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Antibiotic; Bacterial; Beta-lactamase
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Ceftibuten-dihydrate.html
Concentration
10mM
Purity
99.18
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(C(N12)=CCS[C@]2([H])[C@H](NC(/C(C3=CSC(N)=N3)=C\CC(O)=O)=O)C1=O)O.O.O
Molecular Formula
C15H18N4O8S2
Molecular Weight
446.46
Precautions
H302, H315, H319, H335
References & Citations
[1]Kearns GL, et al. Single-dose pharmacokinetics of ceftibuten (SCH 39720) in infants and children. Antimicrob Agents Chemother. 1991;35 (10) :2078-2084.|[2]Shawar R, et al. Comparative in vitro activity of ceftibuten (Sch 39720) against bacterial enteropathogens. Antimicrob Agents Chemother. 1989;33 (5) :781-784.|[3]Tamai I, et al. Functional expression of intestinal dipeptide/beta-lactam antibiotic transporter in Xenopus laevis oocytes. Biochem Pharmacol. 1994;48 (5) :881-888.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
β-lactam
Citation 01
University of Texas. 2025.|SLAS Discov. 2020 Sep;25 (8) :895-905.

Chemical Information

Ceftibuten Dihydrate

Ceftibuten dihydrate is the dihydrate of ceftibuten. It is used as an orally administered treatment for urinary-tract and respiratory-tract infections. It has a role as an antibacterial drug. It contains a ceftibuten.

CAS Number118081-34-8
PubChem CID5282241
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;dihydrate
Molecular FormulaC15H18N4O8S2
Molecular Weight446.5
Topological Polar Surface Area218
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count29
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.O.O
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
Chemical Structure
2D Structure
2D structure of Ceftibuten Dihydrate
CAS: 118081-34-8
CID: 5282241
Formula: C15H18N4O8S2
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass446.05660589
Monoisotopic Mass446.05660589
Topological Polar Surface Area218 Ų
Heavy Atom Count29
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 Count3
Compound Is CanonicalizedYes

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89967603Ceftibuten dihydrate
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