Landiolol Impurity 8
Basic information
- CAS
1582797-17-8- Standard SMILES
CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CN(CCNC(=O)N3CCOCC3)C(=O)CCc3ccc(OC[C@@H](O)CNCCNC(=O)N4CCOCC4)cc3)cc2)O1- InChIKey
CEWAVTICLJLHBY-VHYZKNOSSA-N- Molecular formula
- C44H66N6O13
- Average molar mass
- 887 g/mol
Names & identifiers
- Preferred name
- Landiolol Impurity 8
- IUPAC
- [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoyl-[2-(morpholine-4-carbonylamino)ethyl]amino]propoxy]phenyl]propanoate
- English name
- Benzenepropanoic acid, 4-[(2S)-2-hydroxy-3-[[3-[4-[(2S)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]phenyl]-1-oxopropyl][2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
- Molecular formula
- C44H66N6O13
- Molecular weight
- 887.03
Names & synonyms
Landiolol Impurity 81582797-17-8((S)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-((S)-2-hydroxy-3-(3-(4-((S)-2-hydroxy-3-((2-(morpholine-4-carboxamido)ethyl)amino)propoxy)phenyl)-N-(2-(morpholine-4-carboxamido)ethyl)propanamido)propoxy)phenyl)propanoateLandiolol Impurity41AKOS016023907G87683Landelor impurityLandiololImpurity18Landelol impurity 41Lanodilol impurity 52Landiolol Impurity 27Landiolol Impurity 85
Show more names
Landiolol Impurity 16Landiolol Impurity 36 HClLandiolol Dimer Impurity 2Landiolol Impurity 36 oxalic acid
Database identifiers
- CAS
1582797-17-8
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 25
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,350
Physicochemical properties
- Boiling point
- 1081.7 · 1081.7±65.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 13.44 · 13.44±0.20(Predicted)
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Compound notes
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