Dauricine (Standard)

Chemical Information
Dauricine is a bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter). It has a role as a plant metabolite. It is a bisbenzylisoquinoline alkaloid, a member of isoquinolines, a member of phenols, an aromatic ether and a tertiary amino compound.
| CAS Number | 524-17-4 |
| PubChem CID | 73400 |
| IUPAC Name | 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol |
| Molecular Formula | C38H44N2O6 |
| Molecular Weight | 624.8 |
| XLogP | 6.7 |
| Topological Polar Surface Area | 72.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 933 |
| Property | Value |
|---|---|
| Molecular Weight | 624.8 |
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 624.31993713 |
| Monoisotopic Mass | 624.31993713 |
| Topological Polar Surface Area | 72.9 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 933 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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