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Chemical structure of Landiolol hydrochloride

GC36422

Landiolol hydrochloride

Also known as [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate;hydrochloride

Landiolol hydrochloride (ONO1101 hydrochloride) is a highly beta1 selective ultra-short acting beta-blocker (β1/β2 selectivity?=?255:1, a half-life of 4?min), acts as an adrenoceptor antagonist

ChemicalCAS144481-98-1MW546.05FormulaC25H40ClN3O8
CAS number
144481-98-1
Molecular weight
546.05
Formula
C25H40ClN3O8
Solubility
DMSO： 250 mg/mL (457·83 mM)
InChIKey
DLPGJHSONYLBKP-IKGOIYPNSA-N
Catalogue number
GC36422
Brand
GLPBIO
Computed properties PubChem CID 164457 · TPSA 128 Ų · H-bond donors 4 · H-bond acceptors 9
TPSA
128 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
37

SMILES CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C.Cl

Computed descriptors from PubChem (CID 164457), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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