Ethanone, 1-(2,5-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, dihydrochloride
Basic information
- CAS
87049-28-3- Standard SMILES
CC(=O)c1cc(OCC(O)C[NH+]2CCC(O)(c3ccccc3)CC2)ccc1OCC(O)C[NH+]1CCC(O)(c2ccccc2)CC1.[Cl-].[Cl-]- InChIKey
GXPNFROHEOLVAO-UHFFFAOYSA-N- Molecular formula
- C36H48Cl2N2O7
- Average molar mass
- 691.7 g/mol
- Monoisotopic mass
- 690.2838573
Names & identifiers
- Preferred name
- Ethanone, 1-(2,5-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, dihydrochloride
- IUPAC
- 1-[2,5-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone dichloride
Names & synonyms
1-(2,5-Bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone 2HClEthanone, 1-(2,5-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, dihydrochloride87049-28-3RefChem:341053
Database identifiers
- CAS
87049-28-3- PubChem CID
- 55637
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 892
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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