Codeine, 6-deoxy-

Base Information

• Chemical Name: Codeine, 6-deoxy-
• CAS No.: 5121-66-4
• Molecular Formula: C₁₈H₂₁NO₂
• Molecular Weight: 283.37
• DSSTox Substance ID: DTXSID00965483
• Nikkaji Number: J38.653G
• Wikidata: Q76309798
• ChEMBL ID: CHEMBL408422
• Mol file: 5121-66-4.mol

Synonyms:Codide;Deoxycodeine E;Codeine, 6-deoxy-;5121-66-4;7,8-Didehydro-4,5-alpha-epoxy-3-methoxy-17-methylmorphinan;Morphinan, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-;6-desoxycodeine;CHEMBL408422;SCHEMBL21008992;DTXSID00965483;LS-91703;3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan

Chemical Property of Codeine, 6-deoxy-

Chemical Property:

• Vapor Pressure: 5.51E-07mmHg at 25°C
• Boiling Point: 411.6°Cat760mmHg
• Flash Point: 149.8°C
• PSA: 21.70000
• Density: 1.26g/cm³
• LogP: 2.46820
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 283.157228913
• Heavy Atom Count: 21
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4CC=CC2C1CC5=C3C(=C(C=C5)OC)O4
• Isomeric SMILES: CN1CC[C@]23[C@@H]4CC=C[C@H]2[C@H]1CC5=C3C(=C(C=C5)OC)O4
• Uses: Analgesic (narcotic).

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