Cyclacillin

Base Information

• Chemical Name: Cyclacillin
• CAS No.: 3485-14-1
• Molecular Formula: C15H23 N3 O4 S
• Molecular Weight: 341.431
• European Community (EC) Number: 222-470-8
• NSC Number: 88789
• UNII: 72ZJ154X86
• DSSTox Substance ID: DTXSID9022861
• Nikkaji Number: J3.403G
• Wikipedia: Ciclacillin
• Wikidata: Q5119441
• NCI Thesaurus Code: C47464
• Metabolomics Workbench ID: 43246
• ChEMBL ID: CHEMBL1200356
• Mol file: 3485-14-1.mol

Synonyms:Aminocyclohexylpenicillin;Ciclacillin;Cyclacillin;Wy 4508;Wy-4508;Wy4508

Chemical Property of Cyclacillin

Chemical Property:

• Vapor Pressure: 1.5E-18mmHg at 25°C
• Melting Point: 182-183° (anhydrate) (Hou, Poole); mp 156-158° (dec) (Alburn et al.)
• Boiling Point: 649.6°Cat760mmHg
• PKA: pK1, pK2 in water: 2.68, 7.50; in 50% dioxane: 4.16, 7.04(at 25℃)
• Flash Point: 346.7°C
• PSA: 138.03000
• Density: 1.4g/cm³
• LogP: 1.30880
• Water Solubility.: 32g/L(25 oC)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 341.14092740
• Heavy Atom Count: 23
• Complexity: 559

Purity/Quality:

95-99% ^*data from raw suppliers

Cyclacillin ^*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)C3(CCCCC3)N)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3(CCCCC3)N)C(=O)O)C
• Uses: Cyclacillin is an aminosalicylic semisynthetic penicillin; Antibiotic. Antibacterial.
• Therapeutic Function: Antibacterial

Technology Process of Cyclacillin

There total 2 articles about Cyclacillin 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:

→ cyclacillin (3485-14-1)

Guidance literature:

Penicillin-G, 1-Amino-cyclohexancarbonsaeure-amid, Kluyvera citrophila;

Reference yield:

→ 6β-(1-amino-cyclohexanecarbonylamino)-penicillanic acid (3485-14-1)

Guidance literature:

Benzylpenicillin-K-Salz, PCl3, PCl5, 1-Aminocyclohexan-1-carbonylchlorid;

Reference yield:

cyclacillin (3485-14-1) → the penicilloic acid of cyclacillin (30692-26-3)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1248/cpb.28.3527

Downstream raw materials:

the penicilloic acid of cyclacillin