Cilofungin

Base Information

• Chemical Name: Cilofungin
• CAS No.: 79404-91-4
• Molecular Formula: C49H71N7O17
• Molecular Weight: 1030.13
• UNII: 8ZJC54A39X
• DSSTox Substance ID: DTXSID901027438
• Wikipedia: Cilofungin
• Wikidata: Q908879
• NCI Thesaurus Code: C83623
• Metabolomics Workbench ID: 66956
• ChEMBL ID: CHEMBL2103748
• Mol file: 79404-91-4.mol

Synonyms:cilofungin;L 646991;L-646,991;LY 121019;LY-121019

Chemical Property of Cilofungin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.654
• Boiling Point: 1397 °C at 760 mmHg
• Flash Point: 798.7 °C
• PSA: 391.38000
• Density: 1.46 g/cm³
• LogP: -1.72050
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 15
• Exact Mass: 1029.49064382
• Heavy Atom Count: 73
• Complexity: 1870

Purity/Quality:

99%+, ^*data from raw suppliers

Cilofungin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)NC2CC(C(NC(=O)C3C(C(CN3C(=O)C(NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)C(C)O)O)C(C(C5=CC=C(C=C5)O)O)O)C(C)O)C)O)O)O
• Isomeric SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)N[C@H]2C[C@H]([C@H](NC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)[C@@H](C)O)O)[C@@H]([C@H](C5=CC=C(C=C5)O)O)O)[C@@H](C)O)C)O)O)O
• Uses: Cilofungin is a lipopeptide from echinocandin class of antifungal drugs which inhibits the synthesis of glucan in the fungal cell walls.