I-Rau-papc

Base Information

• Chemical Name: I-Rau-papc
• CAS No.: 102606-26-8
• Molecular Formula: C28H33 I N4 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10907910
• Mol file: 102606-26-8.mol

Synonyms:17-hydroxy-20-yohimban-16-(N-4-amino-3-iodophenethyl)carboxamide;I-rau-pAPC

Chemical Property of I-Rau-papc

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.59g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 582.16498
• Heavy Atom Count: 35
• Complexity: 769

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(C2C1CN3CCC4=C(C3C2)NC5=CC=CC=C45)C(=O)NCCC6=CC(=C(C=C6)N)I)O
• Isomeric SMILES: C1C[C@@H]([C@H]([C@@H]2[C@H]1CN3CCC4=C(C3C2)NC5=CC=CC=C45)C(=O)NCCC6=CC(=C(C=C6)N)[125I])O