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118081-34-8

Basic Information
CAS No.: 118081-34-8
Name: Ceftibuten dihydrate
Molecular Structure:
Molecular Structure of 118081-34-8 (Ceftibuten dihydrate)
Formula: C15H14N4O6S2.2(H2O)
Molecular Weight: 446.45
Synonyms: (+)-(6R,7R)-7-[2-(2-Amino-1,3-thiazol-4-yl)-4-carboxy-2-butenamide]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate;
Melting Point: >180 °C (dec.)
Boiling Point: 966.4 °C at 760 mmHg
Flash Point: 538.3 °C
Appearance: Light-yellow solid
PSA: 234.92000
LogP: 0.73320
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Specification

The IUPAC name of Ceftibuten dihydrate is (6R,7R)-7-[[(Z)-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 dihydrate . With the CAS registry number 118081-34-8, it is also named as 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-, (6R,7R)-, hydrate (1:2) ; 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-4-carboxy-1-oxo-2-butenyl]amino]-8-oxo-, (6R,7R)-, dihydrate ; acide (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-énoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique dihydrate . The product categories of Ceftibuten dihydrate are intermediates & Fine Chemicals and pharmaceuticals.

The Ceftibuten dihydrate is light-yellow solid. It is a semisyn- thetic cephalosporin antibiotic for oral administration. Ceftibuten dihydrate is commercially available under the trade name of Cedax. It is used as an antibacterial. Ceftibuten dihydrate is the active ingredient of Cedax. Cedax Capsules contain ceftibuten dihydrate equivalent to 400 mg of ceftibuten.

The other characteristics of this product can be summarized as: (1)H bond acceptors: 10 ; (2)H bond donors: 5 ; (3)Freely Rotating Bonds: 6 ; (4)Enthalpy of Vaporization: 147.46 kJ/mol ; (5)Boiling Point: 966.4 °C at 760 mmHg ; (6)Vapour Pressure: 0 mmHg at 25°C ; (7)Rotatable Bond Count: 6 ; (8)Tautomer Count: 12 ; (9)Exact Mass: 446.056605 ; (10)MonoIsotopic Mass: 446.056605 ; (11)Topological Polar Surface Area: 219 ; (12)Heavy Atom Count: 29.People can use the following data to convert to the molecule structure. SMILES: O=C2N1/C(=C\CS[C@@H]1[C@@H]2NC(=O)C(=C/CC(=O)O)\c3nc(sc3)N)C(=O)O.O.O; InChI: InChI=1/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.