Bromocodide
Basic information
- CAS
63729-82-8- Standard SMILES
COc1ccc2c3c1O[C@H]1[C@@H](Br)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341- InChIKey
HUJIUABKBDAGKG-AFSSITGASA-N- Molecular formula
- C18H20BrNO2
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 361.06774
Names & identifiers
- Preferred name
- Bromocodide
- IUPAC
- (4R,4aR,7S,7aR,12bS)-7-bromo-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Names & synonyms
BromocodideCodide, bromo-63729-82-8DTXSID90213147Morphinan, 6-alpha-bromo-7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-RefChem:121565DTXCID901356386339-42-0SCHEMBL297893856alpha-Bromo-3-methoxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan
Database identifiers
- CAS
63729-82-8- PubChem CID
- 5745693
- DTXSID
DTXSID90213147- Nikkaji
- J66.305K
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 511
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Related reactions
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Compound notes
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