Dihydrodeoxycodeine
Basic information
- CAS
3990-01-0- Standard SMILES
COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H](C2)N(C)CC[C@]314- InChIKey
ZJWPQUSUXBOTPF-SCGCMHLBSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- Dihydrodeoxycodeine
- IUPAC
- (4R,4aR,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Names & synonyms
Desocodeine3990-01-0Dihydrodeoxycodeine4H4T7H4YKSDTXSID70960440RefChem:1083604DTXCID201766500Codeine, 6-deoxydihydro-(4R,4aR,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolineDeoxydihydrocodeine DDihydrodesoxycodeine-DDesocodeine (1mg/ml in Acetonitrile)
Show more names
(5alpha)-4,5-Epoxy-3-methoxy-17-methyl-morphinan; 6-Deoxydihydrocodeine; Deoxydihydrocodeine D; Dihydrodeoxycodeine4,5alpha-Epoxy-3-methoxy-17-methylmorphinanUNII-4H4T7H4YKSMorphinan, 4,5-alpha-epoxy-3-methoxy-17-methyl-CODEINE, DEOXYDIHYDRO-SCHEMBL11631069Desocodeine (1 mg/ml in Acetonitrile)Q5264858
Database identifiers
- CAS
3990-01-0- PubChem CID
- 5492803
- UNII
- 4H4T7H4YKS
- Nikkaji
- J66.320D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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