5-benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(4-methoxyphenyl)ethyl)-, oxalate (1:1) (salt)
Basic information
- CAS
40680-77-1- Standard SMILES
COc1ccc(CCC(O)c2c(OCC[NH+](C)C)c(OC)c3occc3c2OC)cc1.O=C([O-])C(=O)O- InChIKey
AKPNXQJKOXLURX-UHFFFAOYSA-N- Molecular formula
- C26H33NO10
- Average molar mass
- 519.5 g/mol
- Monoisotopic mass
- 519.21044625
Names & identifiers
- Preferred name
- 5-benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(4-methoxyphenyl)ethyl)-, oxalate (1:1) (salt)
- IUPAC
- 2-[[5-[1-hydroxy-3-(4-methoxyphenyl)propyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
40680-77-15-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(4-methoxyphenyl)ethyl)-, oxalate (1:1) (salt)RefChem:3011825-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha- (2-(4-methoxyphenyl)ethyl)-, oxalate (1:1) (salt)
Database identifiers
- CAS
40680-77-1- PubChem CID
- 38585
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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