2-Hydroxy-3-methoxy-6beta-naltrexol

Base Information

• Chemical Name: 2-Hydroxy-3-methoxy-6beta-naltrexol
• CAS No.: 57355-35-8
• Deprecated CAS: 80161-84-8
• Molecular Formula: C21H27 N O5
• Molecular Weight: 373.44
• UNII: 30798G941L
• DSSTox Substance ID: DTXSID20205959
• Wikidata: Q27255924
• Mol file: 57355-35-8.mol

Synonyms:2-hydroxy-3-methoxy-6 beta-naltrexol

Chemical Property of 2-Hydroxy-3-methoxy-6beta-naltrexol

Chemical Property:

• Vapor Pressure: 7.07E-15mmHg at 25°C
• Boiling Point: 592.3°Cat760mmHg
• PKA: 9.69±0.60(Predicted)
• Flash Point: 312°C
• PSA: 82.39000
• Density: 1.47g/cm³
• LogP: 1.26370
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 373.18892296
• Heavy Atom Count: 27
• Complexity: 628

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2CC3C4(CCC(C5C4(C2=C1O5)CCN3CC6CC6)O)O)O
• Isomeric SMILES: COC1=C(C=C2C[C@@H]3[C@@]4(CC[C@H]([C@H]5[C@@]4(C2=C1O5)CCN3CC6CC6)O)O)O
• Uses: 2-Hydroxy-3-O-methyl-6β-naltrexol is a metabolite of Naltrexone (N285750), a known opioid receptor antagonist.