Morphinan, 6-chloro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-
Basic information
- CAS
63690-27-7- Standard SMILES
COc1ccc2c3c1O[C@H]1[C@@H](Cl)CC[C@H]4[C@@H](C2)N(C)CC[C@@]341- InChIKey
LBXQDFZPYYNEHR-AFSSITGASA-N- Molecular formula
- C18H22ClNO2
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.1339066
Names & identifiers
- Preferred name
- Morphinan, 6-chloro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-
- IUPAC
- (4R,4aR,7S,7aR,12bS)-7-chloro-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
- English name
- 6α-Chloro-4,5α-epoxy-3-methoxy-17-methylmorphinan
- Molecular formula
- C18H22ClNO2
- Molecular weight
- 319.83
Names & synonyms
63690-27-7Morphinan, 6-alpha-chloro-4,5-alpha-epoxy-3-methoxy-17-methyl-DTXSID20213094RefChem:1089857DTXCID20135585Morphinan, 6-chloro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-ChlorodihydrocodideCodide, chlorodihydro-6alpha-Chloro-4,5alpha-epoxy-3-methoxy-17-methylmorphinanDB-307203Q156340516alpha-Chloro-3-methoxy-17-methyl-5alpha-4,5-epoxymorphinan
Show more names
6α-Chloro-4,5α-epoxy-3-methoxy-17-methylmorphinanMorphinan, 6-chloro-4,5-epoxy-3-methoxy-17-methyl-, (5α,6α)- (9CI)
Database identifiers
- CAS
63690-27-7- PubChem CID
- 5745682
- DTXSID
DTXSID20213094- Nikkaji
- J66.306I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 474
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Compound notes
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