Cefclidin

Base Information

• Chemical Name: Cefclidin
• CAS No.: 114013-51-3
• Molecular Formula: C21H26N8O6S2
• Molecular Weight: 0
• UNII: 78963CJ0OG
• DSSTox Substance ID: DTXSID80147023
• Wikipedia: Cefclidin
• NCI Thesaurus Code: C98220
• ChEMBL ID: CHEMBL1614665
• Mol file: 114013-51-3.mol

Synonyms:3-((4-carbamoyl-1-quinuclidinio)methyl)-7-(2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetamido)-8-oxo-5-thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylate;cefaclidine;cefclidin;E 1040;E-1040

Chemical Property of Cefclidin

Chemical Property:

• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 550.14167293
• Heavy Atom Count: 37
• Complexity: 1070

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]45CCC(CC4)(CC5)C(=O)N)C(=O)[O-]
• Isomeric SMILES: CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]45CCC(CC4)(CC5)C(=O)N)C(=O)[O-]

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