alpha-Sulfobenzylpenicillin

Base Information

• Chemical Name: alpha-Sulfobenzylpenicillin
• CAS No.: 41744-40-5
• Deprecated CAS: 12772-42-8,34779-28-7,34779-28-7
• Molecular Formula: C₁₆H₁₈N₂O₇S₂
• Molecular Weight: 414.46
• European Community (EC) Number: 255-528-6
• UNII: Q2VYF0562D
• ChEMBL ID: CHEMBL3306853
• DSSTox Substance ID: DTXSID90873381
• Metabolomics Workbench ID: 53454,144257
• NCI Thesaurus Code: C90915
• Wikipedia: Sulbenicillin
• Mol file: 41744-40-5.mol

Synonyms:alpha-Sulfobenzylpenicillin, Disodium;Disodium alpha Sulfobenzylpenicillin;Disodium alpha-Sulfobenzylpenicillin;I.M., Kedacillin;Kedacillin I.M.;Sulbenicillin;Sulfobenzylpenicillin

Chemical Property of alpha-Sulfobenzylpenicillin

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 197 °C (decomp)
• PKA: 0.28±0.50(Predicted)
• PSA: 174.76000
• Density: 1.64 /cm³
• LogP: 1.65680
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 414.05554326
• Heavy Atom Count: 27
• Complexity: 755

Purity/Quality:

98%Min ^*data from raw suppliers

Sulbenicillin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C
• Therapeutic Function: Antibacterial

Technology Process of alpha-Sulfobenzylpenicillin

There total 1 articles about alpha-Sulfobenzylpenicillin 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:

→ 6β-((Ξ)-2-phenyl-2-sulfo-acetylamino)-penicillanic acid (40222-57-9,41744-40-5,58569-36-1)

Guidance literature:

gemischte Anhydride VI,LactamIV;