7-[(4a,9-Dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Base Information

• Chemical Name: 7-[(4a,9-Dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
• CAS No.: 82824-01-9
• Molecular Formula: C38H42 N4 O6
• Molecular Weight: 723.69
• NSC Number: 612113
• Wikipedia: Naloxonazine
• ChEMBL ID: CHEMBL1997856
• Mol file: 82824-01-9.mol

Synonyms:naloxonazine

Chemical Property of 7-[(4a,9-Dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Chemical Property:

• Boiling Point: 433.7oC at 760 mmHg
• PKA: 8.92±0.40(Predicted)
• Flash Point: 216.1oC
• PSA: 130.58000
• Density: 1.58±0.1 g/cm3(Predicted)
• LogP: 3.15100
• Storage Temp.: −20°C
• Solubility.: H2O: >2 mg/mL
• XLogP3: 4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 650.31043507
• Heavy Atom Count: 48
• Complexity: 1350

Purity/Quality:

98%Min ^*data from raw suppliers

Naloxonazine dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1CCC23C4C(=NN=C5CCC6(C7CC8=C9C6(C5OC9=C(C=C8)O)CCN7CC=C)O)CCC2(C1CC1=C3C(=C(C=C1)O)O4)O
• Uses: Naloxonazine Dihydrochloride is a selective μ1 antagonist.