2-Bromo-3-methoxy-17-methylmorphinan--hydrogen bromide (1/1)
Basic information
- CAS
63690-26-6- Standard SMILES
Br.COc1cc2c(cc1Br)C[C@H]1[C@H]3CCCC[C@@]23CCN1C- InChIKey
XEMGXBYFCSCENA-NMMAEDQESA-N- Molecular formula
- C18H25Br2NO
- Average molar mass
- 431.2 g/mol
- Monoisotopic mass
- 429.03029
Names & identifiers
- Preferred name
- 2-Bromo-3-methoxy-17-methylmorphinan--hydrogen bromide (1/1)
- IUPAC
- (1S,9S,10S)-5-bromo-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;hydrobromide
Names & synonyms
63690-26-6DTXSID309799922-Bromo-3-methoxy-17-methylmorphinan--hydrogen bromide (1/1)RefChem:1062448DTXCID301407272(+)-2-Bromo-3-methoxy-N-methylmorphinan hydrobromideMorphinan, 2-bromo-3-methoxy-17-methyl-, hydrobromide, (+)-2-Bromo-3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan--hydrogen bromide (1/1)
Database identifiers
- CAS
63690-26-6- PubChem CID
- 5486033
- DTXSID
DTXSID30979992
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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