Cefacetrile

Base Information

• Chemical Name: Cefacetrile
• CAS No.: 10206-21-0
• Molecular Formula: C13H13 N3 O6 S
• Molecular Weight: 339.329
• European Community (EC) Number: 233-508-8,245-513-2
• UNII: FDM21QQ344
• DSSTox Substance ID: DTXSID0022779
• Nikkaji Number: J9.817E
• Wikipedia: Cefacetrile
• Wikidata: Q4919176
• NCI Thesaurus Code: C81037
• Metabolomics Workbench ID: 43545
• ChEMBL ID: CHEMBL2110602
• Mol file: 10206-21-0.mol

Synonyms:C 36278 Ba;C-36278-Ba;C36278Ba;Cefacetrile;Celospor;Cephacetrile;Cephacetrile Sodium;Sodium, Cephacetrile

Chemical Property of Cefacetrile

Chemical Property:

• Vapor Pressure: 4.02E-25mmHg at 25°C
• Melting Point: 133-135°C
• Boiling Point: 757.5°Cat760mmHg
• PKA: pKa 1.97 (Uncertain)
• Flash Point: 412°C
• PSA: 162.10000
• Density: 1.59g/cm³
• LogP: -0.46942
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Solubility.: DMF (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 339.05250632
• Heavy Atom Count: 23
• Complexity: 664

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cefacetrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)O
• Isomeric SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O
• Description: This drug is similar to cephalothin, but after intravenous administration, higher peak serum levels are attained, and its serum half-life is longer (Brogard et al., 1973a; Brogard et al., 1973b). However, cephacetrile appears to have no clinical advantages over cephalothin, as demonstrated in one comparative trial (Jackson et al., 1974). It has most recently been available in Italy.
• Uses: A cephalosporin antibiotic. A cephalosporin antibiotic. Antibacterial.
• Therapeutic Function: Antibiotic

Technology Process of Cefacetrile

There total 2 articles about Cefacetrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ cefacetrile (10206-21-0)

Guidance literature:

Reference yield:

→ (6R)-3-acetoxymethyl-7t-(2-cyano-acetylamino)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (10206-21-0)

Guidance literature:

entspr. Amin, CN-CH2-COCl;

Refernces

• 1、 -. "ACETOXYMETHYL PENAM COMPOUNDS AS BETA-LACTAMASE INHIBITORS". . . Retrieved 2008/06/13.
• 2、 -. "Penam 1,1-dioxides as beta-lactamase inhibitors". . . Retrieved 2008/06/13.