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Ceftibuten dihydrate

CAT: 0063-89967603-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0063-89967603-100mgSize:100 mg
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CAS Number
118081-34-8
Molecular Formula
C15H14N4O6S2.2H2O
Molecular Weight
446.44
Formulation
C15H14N4O6S2.2H2O

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
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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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