4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinan hydrogen terephthalate

Base Information

• Chemical Name: 4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinan hydrogen terephthalate
• CAS No.: 64336-55-6
• Molecular Formula: C26H27NO8
• Molecular Weight: 481.49400
• European Community (EC) Number: 246-859-7
• DSSTox Substance ID: DTXSID60948176

Synonyms:EINECS 246-859-7;25333-72-6;4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinan hydrogen terephthalate;SCHEMBL120132;Oxycodone Terephthalate (salt);DTXSID60948176;C18H21NO4.C8H6O4;PD052199;C18-H21-N-O4.C8-H6-O4;Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5.alpha.)-,1,4-benzenedicarboxylate (1:1) (salt);Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-, 1,4-benzenedicarboxylate (1:1) (salt);Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-, 1,4-benzenedicarboxylate (salt);Morphinan-6-one, 4,5.alpha.-epoxy-14-hydroxy-3-methoxy-17-methyl-, terephthalate (1:1) (salt);Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, terephthalate (1:1) (salt)

Chemical Property of 4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinan hydrogen terephthalate

Chemical Property:

• PSA: 133.60000
• LogP: 2.06910
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 481.17366682
• Heavy Atom Count: 35
• Complexity: 722

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O
• Isomeric SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O
• Uses: Analgesic.

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