Basic information
- CAS
40680-75-9- Standard SMILES
COc1c(C(O)CCc2ccccc2)c(OCC[NH+]2CCCCC2)c(OC)c2occc12.O=C([O-])C(=O)O- InChIKey
LXHOWSBWDZOLCU-UHFFFAOYSA-N- Molecular formula
- C28H35NO9
- Average molar mass
- 529.6 g/mol
- Monoisotopic mass
- 529.23118169
Names & identifiers
- Preferred name
- 5-benzofuranmethanol, 4,7-dimethoxy-alpha-(2-phenylethyl)-6-(2-(1-piperidinyl)ethoxy)-, oxalate (1:1) (salt)
- IUPAC
- 1-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol;2-hydroxy-2-oxoacetate
Names & synonyms
40680-75-95-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-phenylethyl)-6-(2-(1-piperidinyl)ethoxy)-, oxalate (1:1) (salt)RefChem:301196
Database identifiers
- CAS
40680-75-9- PubChem CID
- 38581
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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