Phaeantharine

Base Information

• Chemical Name: Phaeantharine
• CAS No.: 27670-80-0
• Molecular Formula: C39H40 N2 O6
• Molecular Weight: 632.7447
• DSSTox Substance ID: DTXSID80950317
• Nikkaji Number: J128.648J
• Wikidata: Q27107649
• Metabolomics Workbench ID: 67896
• ChEMBL ID: CHEMBL508408
• Mol file: 27670-80-0.mol

Synonyms:phaeantharine chloride;phaeanthrine

Chemical Property of Phaeantharine

Chemical Property:

• PSA: 63.14000
• LogP: 6.65890
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 632.28863700
• Heavy Atom Count: 47
• Complexity: 948

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC