Landiolol
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate
Molecular Identity
Landiolol
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate
PubChem CID: 114905
Landiolol is a member of morpholines.
2D Structure
Properties
C25H39N3O8
Molecular Formula
509.60
Molecular Weight
g/mol
509.2737
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
666
Complexity
SMILES
Canonical SMILES
SMILES: CC1(OCC(O1)COC(=O)CCC2=CC=C(C=C2)OCC(CNCCNC(=O)N3CCOCC3)O)CIsomeric SMILES
SMILES: CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)CSynonyms(20)
Landiolol133242-30-5ONO-1101Ono 1101[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoateLDLL60062NWQ924LHLDLL-600AOP200704AOP-200704DTXSID10158026Benzenepropanoic acid, 4-((2S)-2-hydroxy-3-((2-((4-morpholinylcarbonyl)amino)ethyl)amino)propoxy)-, ((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester(-)-((S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl p-((S)-2-hydroxy-3-((2-(4-morpholinecarboxamido)ethyl)amino)propoxy)hydrocinnamatelandiololum((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-((2S)-2-hydroxy-3-(2-(morpholine-4-carbonylamino)ethylamino)propoxy)phenyl)propanoate
Data from PubChem (NCBI)
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