14-Nicotinoyloxycodeinone

Base Information

• Chemical Name: 14-Nicotinoyloxycodeinone
• CAS No.: 104134-14-7
• Molecular Formula: C24H22 N2 O5
• DSSTox Substance ID: DTXSID20146313
• Nikkaji Number: J558.683F
• Wikidata: Q76415436

Synonyms:14-Nicotinoyloxycodeinone;Codeinone, 14-hydroxy-, nicotinate;104134-14-7;Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, nicotinate (ester);14-Nicotinoyl codeinone;DTXSID20146313

Chemical Property of 14-Nicotinoyloxycodeinone

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 418.15287181
• Heavy Atom Count: 31
• Complexity: 816

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)OC(=O)C6=CN=CC=C6
• Isomeric SMILES: CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OC(=O)C6=CN=CC=C6

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