Codeinone
Also known as 6-Codeinone, 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6-one, (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Key facts
What buyers check first
- CAS number
- 467-13-0
- Formula
- C18H19NO3
- Molar mass
- 297.35 g/mol
- EC number
- 207-386-1
- HS code
- 293499
- Category
- Impurities and reference standards
What is Codeinone?
Plain description, key identifiers and synonyms
Codeinone is an isoquinoline alkaloid. It is functionally related to a morphine. It is a conjugate base of a codeinone(1+).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
- CAS number
- 467-13-0 CAS number cross-checked
- EC numbers
- 207-386-1, 935-619-3
- Molecular formula
- C18H19NO3
- UNII
- 22B5AW0ANN
- InChIKey
- XYYVYLMBEZUESM-CMKMFDCUSA-N
- InChI
- 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
- Canonical SMILES
- COc1ccc2c3c1OC1C(=O)C=CC4C(C2)N(C)CCC314
- Isomeric SMILES
- CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)C=C4
Synonyms
- 6-Codeinone
- 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6-one
- (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
- (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro(3,2-e)isoquinolin-7-one
- (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro(3,2-e)isoquinoline-7-one
- (5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one
- 4-27-00-03599 (Beilstein Handbook Reference)
- Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-
- 6-Oxocodeine
- Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha)-
- Codeinone (1.0mg/ml in Acetonitrile)
- (-)-Codeinone
- (-)-Co deinone
- Codeine Impurity 17
- Codeine monohydrate impurity i
- 7,8-Didehydro-4,5a-epoxy-3-methoxy-17-methyl-morphinan-6-one
- Codeine hydrochloride dihydrate impurity i
- Codeine phosphate hemihydrate impurity i
- (5a)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-morphinan-6-one
- 3-Methoxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-6-one
- Hydrocodone hydrogen tartrate 2.5-hydrate impurity e
- Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.)-
- Morphinan-6-one, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-
- (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,3,4,4a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 297.35 g/molcalc.Computed value |
|---|---|
| Exact mass | 297.1365 Dacalc.Computed value |
| LogP (octanol/water) | 1.71calc.Computed value |
| Topological polar surface area | 38.77 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 4calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
- H302Harmful if swallowed.
- H331Toxic if inhaled.
Precautionary statements (13)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P301 + P317If swallowed: Get medical help.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P316Get emergency medical help immediately.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidCodeinone suppliers
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Where suppliers are based
2 suppliers in 2 countries
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Codeinone price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Codeinone is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Codeinone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Codeinone, based on the data on this page
What is Codeinone?
What is the CAS number of Codeinone?
What is the molecular formula and weight of Codeinone?
Is Codeinone hazardous?
What is the HS code of Codeinone?
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What is the price of Codeinone?
Guides for buyers
Practical guides that help when you source, ship or handle Codeinone
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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