Basic information
- CAS
40680-91-9- Standard SMILES
CCCCOc1ccc(CCC(O)c2c(OCC[NH+](C)C)c(OC)c3occc3c2OC)cc1.O=C([O-])C(=O)O- InChIKey
LVAJWCASDZLPNJ-UHFFFAOYSA-N- Molecular formula
- C29H39NO10
- Average molar mass
- 561.6 g/mol
- Monoisotopic mass
- 561.25739644
Names & identifiers
- Preferred name
- 5-benzofuranmethanol, alpha-(2-(4-butoxyphenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, oxalate (1:1) (salt)
- IUPAC
- 2-[[5-[3-(4-butoxyphenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
40680-91-95-Benzofuranmethanol, alpha-(2-(4-butoxyphenyl)ethyl)-4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-, oxalate (1:1) (salt)RefChem:301202
Database identifiers
- CAS
40680-91-9- PubChem CID
- 38599
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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