1-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
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Basic information
- CAS
860-23-1- Standard SMILES
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(C)=O)cc1OC- InChIKey
JIDKUPJJVWNDTF-SFHVURJKSA-N- Molecular formula
- C22H27NO5
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.18892296
Names & identifiers
- Preferred name
- 1-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
- IUPAC
- 1-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
- English name
- N-Acetylnorlaudanosine
- Molecular formula
- C22H27NO5
- Molecular weight
- 385.45
Names & synonyms
860-23-1AAA86023N-Acetylnorlaudanosine1-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanoneIsoquinoline, 2-acetyl-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, (S)- (9CI)
Database identifiers
- CAS
860-23-1- PubChem CID
- 10430189
- Nikkaji
- J575.977C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 548.5 · 548.5±50.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- -1.05 · -1.05±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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