Descyclopropylmethyl Nalfurafine

Base Information

• Chemical Name: Descyclopropylmethyl Nalfurafine
• CAS No.: 163713-06-2
• Molecular Formula: C24H26N2O5
• Molecular Weight: 422.5
• European Community (EC) Number: 807-638-6
• Wikidata: Q76856462

Synonyms:Descyclopropylmethyl Nalfurafine;(E)-N-[(4R,4aS,7S,7aR,12bS)-4a,9-dihydroxy-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;163713-06-2

Chemical Property of Descyclopropylmethyl Nalfurafine

Chemical Property:

• PKA: 9.40±0.60(Predicted)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 422.18417193
• Heavy Atom Count: 31
• Complexity: 775

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CN(C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3)O)C(=O)C=CC6=COC=C6
• Isomeric SMILES: CN([C@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3)O)C(=O)/C=C/C6=COC=C6

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