3-Methoxymorphinan
Basic information
- CAS
1531-25-5- Standard SMILES
COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)NCC3- InChIKey
ILNSWVUXAPSPEH-USXIJHARSA-N- Molecular formula
- C17H23NO
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.17796436
Overview
dextromethorphan metabolite; RN & N1 from 9th CI Form Index; RN given refers to cpd without isomeric designation; structure in first source
Names & identifiers
- Preferred name
- 3-Methoxymorphinan
- IUPAC
- (1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
- English name
- 3-Methoxymorphinan HCl
- Molecular formula
- C17H23NO
- Molecular weight
- 257.37
Names & synonyms
3-Methoxymorphinan1531-25-5Morphinan, 3-methoxy-497WV2EY4TDTXSID60934675LK-3 compoundRefChem:94651DTXCID101363319(1S,9S,10S)-4-methoxy-17-azatetracyclo(7.5.3.0^(1,10).0^(2,7))heptadeca-2(7),3,5-triene216-240-63-METHOXYMORPHINAN HCLCHEMBL1623871
Show more names
(4bS,8aS,9S)-3-methoxy-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene(-)-3-Methoxymorphinanent-3-MethoxymorphinanDextromethorphan Impurity 19*Diphenoxylate Hydrochloride MonomerDextromethorphan impurity A (Y0000261)
(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene(1S,9S,10R)-4-Methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene(4bR,8aR,9R)-3-methoxy-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthreneUNII-497WV2EY4TEINECS 216-240-6NORLEVOMETHORPHAN(+)-3-methoxy-morphinanLopac0_000864
Database identifiers
- CAS
1531-25-5- PubChem CID
- 5484286
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 403.2 · 403.2±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 10.28 · 10.28±0.20(Predicted)
- FDA UNII
- 497 WV2EY4T · 497WV2EY4T
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
Chemistry & industry
Applications
Uses3-Methoxymorphinan is an intermediate used in the synthesis of Phenomorphan (P316900), which is a Controlled substance (opiate).
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Related reactions
4 records
Compound notes
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