Hamacanthin B

Base Information

• Chemical Name: Hamacanthin B
• CAS No.: 160098-93-1
• Molecular Formula: C20H14 Br2 N4 O
• Molecular Weight: 486.16
• DSSTox Substance ID: DTXSID20166798
• Nikkaji Number: J2.108.680K
• Wikidata: Q27134504
• Metabolomics Workbench ID: 64315
• ChEMBL ID: CHEMBL219868
• Mol file: 160098-93-1.mol

Synonyms:hamacanthin B;hamacanthine B

Chemical Property of Hamacanthin B

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 73.04000
• Density: 1.92g/cm³
• LogP: 4.59880
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 485.95139
• Heavy Atom Count: 27
• Complexity: 629

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N=C(C(=O)N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br
• Isomeric SMILES: C1[C@@H](N=C(C(=O)N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br