Basic information
- Standard SMILES
CCCCOCCOC(=O)C1(C(=O)OCCOCCCC)Oc2ccc(CC(C)NCC(O)c3cccc(Cl)c3)cc2O1.Cl- InChIKey
PMUJEADSJANUJY-UHFFFAOYSA-N- Molecular formula
- C32H45Cl2NO9
- Average molar mass
- 658.6 g/mol
Names & identifiers
- Preferred name
- 5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(2-butoxy-ethyl) ester hydrochloride salt
- IUPAC
- bis(2-butoxyethyl) 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate;hydrochloride
Names & synonyms
PMUJEADSJANUJY-UHFFFAOYSA-N5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(2-butoxy-ethyl) ester hydrochloride salt
Database identifiers
- PubChem CID
- 86754128
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 22
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 790
Related reactions
1 records
Compound notes
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