Rau-azpc

Base Information

• Chemical Name: Rau-azpc
• CAS No.: 108206-16-2
• Molecular Formula: C26H27 I N6 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30910648
• Wikidata: Q82880575
• Mol file: 108206-16-2.mol

Synonyms:17-hydroxy-20-yohimban-16-(N-(4-azido-3-iodo)phenyl)carboxamide;Rau-AZPC

Chemical Property of Rau-azpc

Chemical Property:

• PSA: 121.60000
• LogP: 5.69936
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 580.12418
• Heavy Atom Count: 35
• Complexity: 854

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(C2C1CN3CCC4=C(C3C2)NC5=CC=CC=C45)C(=O)NC6=CC(=C(C=C6)N=[N+]=[N-])I)O
• Isomeric SMILES: C1C[C@@H]([C@H]([C@@H]2[C@H]1CN3CCC4=C([C@@H]3C2)NC5=CC=CC=C45)C(=O)NC6=CC(=C(C=C6)N=[N+]=[N-])[125I])O