Omiganan pentahydrochloride

Base Information

• Chemical Name: Omiganan pentahydrochloride
• CAS No.: 269062-93-3
• Molecular Formula: C90H127 N27 O12 . 5 Cl H
• Molecular Weight: 1815.60602
• ChEMBL ID: CHEMBL1793889
• NCI Thesaurus Code: C91016
• Mol file: 269062-93-3.mol

Synonyms:ILRWPWWPWRRK-amide;MBI-226;omiganan pentahydrochloride

Chemical Property of Omiganan pentahydrochloride

Chemical Property:

• PSA: 646.51000
• LogP: 14.12880
• Hydrogen Bond Donor Count: 30
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 52
• Exact Mass: 1959.896191
• Heavy Atom Count: 134
• Complexity: 3790

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)N8CCCC8C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N)N.Cl.Cl.Cl.Cl.Cl
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N)N.Cl.Cl.Cl.Cl.Cl
• Recent ClinicalTrials: Safety and Efficacy of MBI 226 for the Prevention of Central Venous Catheter-Related Bloodstream Infections
• Recent EU Clinical Trials: A phase 2, randomized, vehicle and ketoconazole-controlled, evaluator-blinded, study to explore the efficacy, pharmacodynamics and safety of omiganan 1.75% topical gel BID in patients with mild to moderate facial seborrheic dermatitis.