Naltrexone-3-salicylate

Base Information

• Chemical Name: Naltrexone-3-salicylate
• CAS No.: 110189-11-2
• Molecular Formula: C27H27 N O6
• Molecular Weight: 461.51
• DSSTox Substance ID: DTXSID00911526
• Wikidata: Q82881669
• Mol file: 110189-11-2.mol

Synonyms:naltrexone-3-salicylate

Chemical Property of Naltrexone-3-salicylate

Chemical Property:

• Vapor Pressure: 3.71E-19mmHg at 25°C
• Boiling Point: 675.3°Cat760mmHg
• PKA: 7.87±0.30(Predicted)
• Flash Point: 362.2°C
• PSA: 96.30000
• Density: 1.49g/cm³
• LogP: 2.68250
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 461.18383758
• Heavy Atom Count: 34
• Complexity: 875

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)OC(=O)C7=CC=CC=C7O)O5)O
• Isomeric SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)OC(=O)C7=CC=CC=C7O)O5)O