Ceftiolene

Base Information

• Chemical Name: Ceftiolene
• CAS No.: 77360-52-2
• Molecular Formula: C20H18N8O8S3
• Molecular Weight: 594.608
• UNII: 28TV2P33KF
• DSSTox Substance ID: DTXSID101024597
• Wikipedia: Ceftiolene
• NCI Thesaurus Code: C76175
• ChEMBL ID: CHEMBL2106102
• Mol file: 77360-52-2.mol

Synonyms:cefatiolene;RP 42980;RP-42980

Chemical Property of Ceftiolene

Chemical Property:

• PSA: 310.87000
• LogP: -0.52570
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 10
• Exact Mass: 594.04097308
• Heavy Atom Count: 39
• Complexity: 1240

Purity/Quality:

99% ^*data from raw suppliers

Ceftiolene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CSC4=NNC(=O)C(=O)N4CC=O)C(=O)O
• Isomeric SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/SC4=NNC(=O)C(=O)N4CC=O)C(=O)O
• Uses: A third-generation cephalosporin; β-lactam antibiotic.