(4R,4Ar,7S,7aR,12bS)-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;acetate

Base Information

• Chemical Name: (4R,4Ar,7S,7aR,12bS)-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;acetate
• CAS No.: 596-15-6
• Molecular Formula: C19H23NO5
• Molecular Weight: 327.37434
• DSSTox Substance ID: DTXSID30208274
• Mol file: 596-15-6.mol

Synonyms:DTXSID30208274;(4R,4Ar,7S,7aR,12bS)-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;acetate

Chemical Property of (4R,4Ar,7S,7aR,12bS)-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;acetate

Chemical Property:

• Vapor Pressure: 7.06E-10mmHg at 25°C
• Boiling Point: 476.2°C at 760 mmHg
• Flash Point: 241.8°C
• PSA: 90.23000
• LogP: 1.22690
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 345.15762283
• Heavy Atom Count: 25
• Complexity: 520

Purity/Quality:

99%, ^*data from raw suppliers

MORPHINE ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)[O-].C[NH+]1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
• Isomeric SMILES: CC(=O)[O-].C[NH+]1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O