Geraldoamine
Basic information
- CAS
112523-89-4- Standard SMILES
COc1cc2c(cc1O)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4NCCc5cc(OC)c(OC)cc54)cc3)c1)N(C)CC2- InChIKey
LLXUFEAGHGDYAT-FIRIVFDPSA-N- Molecular formula
- C37H42N2O6
- Average molar mass
- 610.7 g/mol
- Monoisotopic mass
- 610.30428706
Names & identifiers
- Preferred name
- Geraldoamine
- IUPAC
- (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Names & synonyms
Geraldoamine(-)-Geraldoamine112523-89-4RefChem:346034DTXSID30920828(1R)-1-{[3-(4-{[(1R)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-4-methoxyphenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol1-[(3-{4-[(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Database identifiers
- CAS
112523-89-4- PubChem CID
- 183532
- DTXSID
DTXSID30920828
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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