Cephalosporin C zinc salt

Base Information

• Chemical Name: Cephalosporin C zinc salt
• CAS No.: 12567-06-5
• Molecular Formula: C16H19 N3 O8 S Zn
• Molecular Weight: 478.79
• European Community (EC) Number: 261-624-9
• UNII: 7AX8Y0VD4W
• DSSTox Substance ID: DTXSID501017261
• ChEMBL ID: CHEMBL1326149
• Mol file: 12567-06-5.mol

Synonyms:Cephalosporin C zinc salt;59143-60-1;Cephalosporin C zinc;Zinc cephalosporin C;7AX8Y0VD4W;Zinc, (3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylato(2-))-;zinc;(6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxylatopentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;UNII-7AX8Y0VD4W;CHEMBL1326149;HY-B1299A;DTXSID501017261;HMS3260J04;Tox21_500281;AKOS040759088;CCG-221585;CS-W007086;LP00281;NCGC00093736-01;NCGC00260966-01;EU-0100281;C 3270;Zinc(II) (6R,7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxylatopentanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;Zinc(II)(6R,7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxylatopentanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Chemical Property of Cephalosporin C zinc salt

Chemical Property:

• PSA: 210.78000
• LogP: -1.11590
• Storage Temp.: 2-8°C
• Solubility.: Aqueous Acid (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 477.018428
• Heavy Atom Count: 29
• Complexity: 726

Purity/Quality:

99% ^*data from raw suppliers

Cephalosporin C zinc salt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 42/43
• Safety Statements: 22-45

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)[O-])N)SC1)C(=O)[O-].[Zn+2]
• Isomeric SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])N)SC1)C(=O)[O-].[Zn+2]
• Uses: Cephalosporin C Zinc Salt is a derivative of Cephalosporin C. It is useful research chemical used for the discovery of antibiotic, penicillin