CID 102149065
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Basic information
- CAS
34302-34-6- Standard SMILES
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4NCCc5cc(OC)c(OC)cc54)cc3)c1)N(C)CC2- InChIKey
ALEBFFPOPDALBA-FIRIVFDPSA-N- Molecular formula
- C37H42N2O6
- Average molar mass
- 610.7 g/mol
- Monoisotopic mass
- 610.30428706
Names & identifiers
- Preferred name
- CID 102149065
- IUPAC
- 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]phenol
- English name
- N''-DEMETHYLDAURICINE IODIDE
- Molecular formula
- C37H42N2O6
- Molecular weight
- 610.73918
Names & synonyms
34302-34-6FD658094-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]phenol2'-DemethyldauricineDauricine, 2'-demethyl- (8CI)
Database identifiers
- CAS
34302-34-6- PubChem CID
- 102149065
- Nikkaji
- J2.409.184H
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 902
Physicochemical properties
- Boiling point
- 718.8 · 718.8±60.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 9.31 · 9.31±0.45(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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