2,2'-Bisnalmefene

Base Information

• Chemical Name: 2,2'-Bisnalmefene
• CAS No.: 176220-84-1
• Molecular Formula: C42H48 N2 O6
• Molecular Weight: 676.84032
• DSSTox Substance ID: DTXSID40938772
• Wikidata: Q82915177
• Mol file: 176220-84-1.mol

Synonyms:2,2'-Bisnalmefene;176220-84-1;2,2'-Bis(6-deoxo-6-methylenenaltrexone);(4R,4aS,7aS,12bS)-10-[(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;C42H48N2O6;C42-H48-N2-O6;DTXSID40938772;(2,2'-Bimorphinan)-3,3',14,14'-tetrol, 17,17'-bis(cyclopropylmethyl)-4,5:4',5'-diepoxy-6,6'-bis(methylene)-, (5alpha)-(5'alpha)-;F19374;17-(Cyclopropylmethyl)-2-[17-(cyclopropylmethyl)-3,14-dihydroxy-6-methylidene-4,5-epoxymorphinan-2-yl]-6-methylidene-4,5-epoxymorphinan-3,14-diol

Chemical Property of 2,2'-Bisnalmefene

Chemical Property:

• Melting Point: 266-268°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.49g/cm³
• Storage Temp.: -20°C Freezer
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 676.35123726
• Heavy Atom Count: 50
• Complexity: 1400

Purity/Quality:

98%Min ^*data from raw suppliers

2,2'-Bisnalmefene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=C1CCC2(C3CC4=CC(=C(C5=C4C2(C1O5)CCN3CC6CC6)O)C7=C(C8=C9C(=C7)CC1C2(C9(CCN1CC1CC1)C(O8)C(=C)CC2)O)O)O
• Isomeric SMILES: C=C1CC[C@]2([C@H]3CC4=CC(=C(C5=C4[C@]2([C@H]1O5)CCN3CC6CC6)O)C7=C(C8=C9C(=C7)C[C@@H]1[C@]2([C@]9(CCN1CC1CC1)[C@@H](O8)C(=C)CC2)O)O)O
• Uses: Degradation product of Nalmefene