Ceftibuten dihydrate

Basic Information

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CAS Number

118081-34-8

Molecular Formula

C15H18N4O8S2

Molecular Weight

446.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>180°C (dec.)

Boiling Point

966.4°C at 760 mmHg

SMILES

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C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=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

InChIKey

SSWTVBYDDFPFAF-UHFFFAOYSA-N

LogP

-1.697599999999999

Topological Polar Surface Area

225.92000000000002 Å²

Hydrogen Bond Donor/Acceptor

9 / 12

Complexity

755

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

cis-Ceftibuten dihydrate
CEFTIBUTEN DIHYDRATE [MI]
s3623
AKOS025149353
(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
CHEBI:34618
CCG-269195
Seftem
CEFTIBUTEN DIHYDRATE
(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-4-carboxybut-2-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
CEFTIBUTEN DIHYDRATE [ORANGE BOOK]
Cedax (TN)
D02121
(6R,7R)-7-((2Z)-2-(2-Aminothiazol-4-yl)-4-carboxybut-2-enoylamino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid dihydrate
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((2-(2-AMINO-4-THIAZOLYL)-4-CARBOXY-1-OXO-2-BUTENYL)AMINO)-8-OXO-, DIHYDRATE, (6R-(6alpha,7beta(Z)))-
118081-34-8
A803878
CEFTIBUTEN DIHYDRATE [WHO-DD]
(+)-(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
MFCD08141796
62F4443RWP
7beta-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl)amino)-3,4-didehydrocepham-4-carboxylic acid--water(1/2)
ceftibuten.2H2O
1ST162942W
Ceftibuten (dihydrate)
(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
(6R,7R)-7-{[(2Z)-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--water (1/2)
HY-B0698A
CS-4518
Ceftibuten hydrate (JP17)
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((2-(2-AMINO-4-THIAZOLYL)-4-CARBOXY-1-OXO-2-BUTENYL)AMINO)-8-OXO-, DIHYDRATE, (6R-(6.ALPHA.,7.BETA.(Z)))-

MDL Number

MFCD00864918

FAQ

What regulatory guidelines apply to Ceftibuten dihydrate (CAS: 118081-34-8)?

Ceftibuten dihydrate (CAS: 118081-34-8) must comply with regulatory guidelines such as REACH in the European Union, which requires manufacturers to register substances above a certain tonnage. Additionally, it is subject to FDA regulations in the United States, including safety and quality standards. EPA regulations govern environmental protection and disposal methods. Occupational Safety and Health Administration (OSHA) guidelines also ensure worker safety during its handling and use.

Are there alternatives to Ceftibuten dihydrate (CAS: 118081-34-8) in synthesis?

There are alternatives to Ceftibuten dihydrate (CAS: 118081-34-8) in synthesis, such as other cephalosporin derivatives like cefuroxime or cefadroxil. Isomers and analogs of Ceftibuten can also be considered. Common alternative reagents might include different amino acids or other beta-lactam ring compounds, providing various synthetic pathways and options for chemists.

What is the market or research trend for Ceftibuten dihydrate (CAS: 118081-34-8)?

The market for Ceftibuten dihydrate (CAS: 118081-34-8) is influenced by its use as an anti-inflammatory and antibacterial drug. Research trends show an increasing focus on its efficacy in treating respiratory infections and the development of new formulations to enhance its bioavailability. Market trends indicate a steady demand due to its effectiveness, but there is also a growing emphasis on developing newer, more effective antibiotics to combat antibiotic resistance.

How should waste containing Ceftibuten dihydrate (CAS: 118081-34-8) be handled?

Waste containing Ceftibuten dihydrate (CAS: 118081-34-8) should be handled with care to prevent environmental contamination. Collection of waste liquid should be done in appropriate containers and stored according to hazardous waste regulations. Incineration or professional waste disposal services should be used for disposal. Environmental protection measures include proper sealing of containers and adherence to local and national waste disposal guidelines to ensure safety and compliance.