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Codeinone
[CAS# 467-13-0]

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Identification
Name Codeinone
Synonyms (5Alpha)-7,8-Didehydro-4,5-Epoxy-3-Methoxy-17-Methylmorphinan-6-One; 6-Codeinone; Brn 0094188
Molecular Structure CAS#: 467-13-0, Codeinone
Molecular Formula C18H19NO3
Molecular Weight 297.35
CAS Registry Number 467-13-0
EINECS 207-386-1
SMILES [C@]235C1=C4C=CC(=C1O[C@H]2C(C=C[C@H]3[C@@H](C4)N(CC5)C)=O)OC
InChI 1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
InChIKey XYYVYLMBEZUESM-CMKMFDCUSA-N
Properties
Density 1.342g/cm3 (Cal.)
Boiling point 466.852°C at 760 mmHg (Cal.)
Flash point 236.144°C (Cal.)
Safety Data
SDS Available
References
(1) Hagel et al.. Dioxygenases catalyze the O-demethylation steps of morphine biosynthesis in opium poppy, Nature Chemical Biology, 2010
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