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Codeine [76-57-3]

 
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Identification
Copyright
CAS # 76-57-3, Codeine
Name
Codeine
Synonyms
7,8-Didehydro-4,5Alpha-Epoxy-3-Methoxy-17-Methylmorphinan-6Alpha-Ol; Chebi:16714; Codein
Molecular Formula
C18H21NO3
Molecular Weight 299.37
CAS Registry Number
76-57-3
EINECS 200-969-1
SMILES
[C@@]125C3=C4C[C@H]([C@@H]1C=C[C@@H]([C@@H]2OC3=C(C=C4)OC)O)N(C)CC5
InChI
1S/C18H21NO3/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/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
InChIKey OROGSEYTTFOCAN-DNJOTXNNSA-N
down Properties
Desity 1.3±0.1g/cm3 (Cal.)  ref.
Melting point 154-156°C (Expl.)  ref.
Boiling point 462.0±45.0°C at 760 mmHg (Cal.)  ref.
Flash point 75°C (Expl.)  ref.
233.2±28.7°C (Cal.)  ref.
down Safety Data
Safety Description Safety glasses. Do not breathe dust.   ref.
Controlled Substance DEA Drug Code Number: 9050 Details
CSA Schedule: II
Is Narcotics? Yes
down 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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