N-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]benzamide

Base Information

• Chemical Name: N-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]benzamide
• CAS No.: 119630-94-3
• Molecular Formula: C26H27 N3 O4
• Molecular Weight: 445.51
• DSSTox Substance ID: DTXSID401017618
• Mol file: 119630-94-3.mol

Synonyms:6-desoxy-6-benzoylhydrazido-N-allyl-14-hydroxydihydronormorphinone;NalBzoH;naloxone benzoylhydrazone

Chemical Property of N-[[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]benzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 94.39000
• Density: 1.44g/cm³
• LogP: 2.84710
• Storage Temp.: −20°C
• Solubility.: DMSO: soluble
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 445.20015635
• Heavy Atom Count: 33
• Complexity: 841

Purity/Quality:

99% ^*data from raw suppliers

Naloxone benzoylhydrazone solid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCN1CCC23C4C(=NNC(=O)C5=CC=CC=C5)CCC2(C1CC6=C3C(=C(C=C6)O)O4)O
• Isomeric SMILES: C=CCN1CC[C@]23[C@@H]4C(=NNC(=O)C5=CC=CC=C5)CC[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)O