Basic information
- CAS
76410-43-0- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(O)C[NH2+]C(C)C)cc12.[Cl-]- InChIKey
IAENDNHRIUZOAV-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO5
- Average molar mass
- 433.9 g/mol
- Monoisotopic mass
- 433.1656007
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 5-(2-hydroxy-3-(isopropylamino)propoxy)-2-phenyl-, ethyl ester, hydrochloride
- IUPAC
- [3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
Names & synonyms
76410-43-03-Benzofurancarboxylic acid, 5-(2-hydroxy-3-(isopropylamino)propoxy)-2-phenyl-, ethyl ester, hydrochloride5-(2-Hydroxy-3-(isopropylamino)propoxy)-2-phenyl-3-benzofurancarboxylic acid ethyl ester HClRefChem:276892
Database identifiers
- CAS
76410-43-0- PubChem CID
- 53501
Properties
Computed structural properties
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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