Basic information
- CAS
59614-33-4- Standard SMILES
COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)NCC2- InChIKey
RNPHQDBXJJRLDE-CONSDPRKSA-N- Molecular formula
- C37H42N2O6
- Average molar mass
- 610.7 g/mol
- Monoisotopic mass
- 610.30428706
Names & identifiers
- Preferred name
- (1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
- IUPAC
- (1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Names & synonyms
NSC265454CHEMBL1995085NSC-265454NCI60_0021317-Isoquinolinol,2,3,4-tetrahydro-6-methoxy-1-[[4-[2-methoxy-5-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-, [S-(R*,R*)]-
Database identifiers
- CAS
59614-33-4- PubChem CID
- 319848
- ChEMBL
CHEMBL1995085
Properties
Computed structural properties
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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