Basic information
- CAS
59614-34-5- Standard SMILES
COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)N(C)CC2- InChIKey
MEETXPGMOAAZPG-UHFFFAOYSA-N- Molecular formula
- C38H44N2O6
- Average molar mass
- 624.8 g/mol
- Monoisotopic mass
- 624.31993713
Names & identifiers
- Preferred name
- Thalibrine
- IUPAC
- 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
- English name
- THALIBRINE
- Molecular formula
- C38H44N2O6
- Molecular weight
- 624.774
Names & synonyms
THALIBRINE59614-34-5NSC6266541-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-olDTXSID60312999NSC265453NSC-2654531-(4-(5-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-2-methoxyphenoxy)benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol1-[(4-{5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenoxy}phenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Database identifiers
- CAS
59614-34-5- PubChem CID
- 319847
- DTXSID
DTXSID60312999
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 933
Chemistry & industry
Applications
DescriptionOne of a number of bisbenzylisoquinoline alkaloids recently isolated from Thalictrum rochebrunianum, thalibrine contains four methoxyl groups and one phenolic hydroxyl group in the molecule.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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