Naphtho(1,2-b)furan-3-carboxylic acid, 6-(2-hydroxy-3-(benzylamino)propoxy)-2-methyl-, ethyl ester, monohydrochloride
Basic information
- CAS
76410-24-7- Standard SMILES
CCOC(=O)c1c(C)oc2c1ccc1c(OCC(O)C[NH2+]Cc3ccccc3)cccc12.[Cl-]- InChIKey
GJBXSZLRYRCCRS-UHFFFAOYSA-N- Molecular formula
- C26H28ClNO5
- Average molar mass
- 470 g/mol
- Monoisotopic mass
- 469.1656007
Names & identifiers
- Preferred name
- Naphtho(1,2-b)furan-3-carboxylic acid, 6-(2-hydroxy-3-(benzylamino)propoxy)-2-methyl-, ethyl ester, monohydrochloride
- IUPAC
- benzyl-[3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]azanium chloride
Names & synonyms
76410-24-7Naphtho(1,2-b)furan-3-carboxylic acid, 6-(2-hydroxy-3-(benzylamino)propoxy)-2-methyl-, ethyl ester, monohydrochlorideRefChem:365408
Database identifiers
- CAS
76410-24-7- PubChem CID
- 53493
Properties
Computed structural properties
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…