Basic information
- CAS
40680-84-0- Standard SMILES
COc1c(C(O)CCc2ccc(F)cc2)c(OCC[NH+](C)C)c(OC)c2occc12.O=C([O-])C(=O)O- InChIKey
ULXDDZJNNKGSFB-UHFFFAOYSA-N- Molecular formula
- C25H30FNO9
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.1904597
Names & identifiers
- Preferred name
- 5-benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(4-fluorophenyl)ethyl)-, oxalate (1:1) (salt)
- IUPAC
- 2-[[5-[3-(4-fluorophenyl)-1-hydroxypropyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
40680-84-05-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-(4-fluorophenyl)ethyl)-, oxalate (1:1) (salt)RefChem:301180
Database identifiers
- CAS
40680-84-0- PubChem CID
- 38593
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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