Landiolol (CED0008516)

Record Information

Version

1.0

Creation Date

2026-04-05 11:51:24 UTC

Update Date

2026-08-22 05:31:55 UTC

Accession Number

CHEM100654

Identification

Common Name

Landiolol

Class

Small Molecule

Description

Landiolol is an organic compound with the chemical formula C25H39N3O8. Landiolol belongs to the morpholines, a subclass of oxazinanes within the organic compounds. With an average molecular weight of 509.60 g/mol, Landiolol is a heavy molecule. In terms of its biological activity, Landiolol acts as an antagonist for two protein targets: the Beta-1 adrenergic receptor (ADRB1) and the Beta-2 adrenergic receptor (ADRB2). The compound is found in or released from one recorded source, categorized as healthcare, pharmaceuticals, and veterinary products, specifically as one of the beta blocking agents. The recorded route of exposure for this substance is intravenous.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₅H₃₉N₃O₈

Average Molecular Mass

509.600 g/mol

Monoisotopic Mass

509.274 g/mol

CAS Registry Number

133242-30-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

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

InChI Identifier

InChI=1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31)/t20-,22+/m0/s1

InChI Key

WMDSZGFJQKSLLH-RBBKRZOGSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02a9-2927130000-1aff4a340699fde12ffd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kr-6922000000-11526b2fba843ca2f097	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052r-9400000000-3b61bab035ac917398d2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-4749140000-a01503fc6b327e2c7505	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03fr-1932000000-50efc4a8fa20cd80c883	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01r2-4940000000-a0be97d6c2f57054e896	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2671.0	Log mg/kg	[1500:4700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
293	Beta blocking agents	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	10.821
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	16.6597
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	13.5458
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	93.3412
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	67.3396
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	1212.42
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	447.711
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	72.789
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	680.247
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	661.563
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	2224.62
Click to view 3D structure	Cytochrome P450 2A2	P15149	Rat	Predicted (SEA)	7.86277
Click to view 3D structure	Lanosterol 14-alpha demethylase	Q4PJW3	Bos taurus	Predicted (SEA)	7.78492
Click to view 3D structure	Cholesterol side-chain cleavage enzyme, mitochondrial	P14137	Rattus norvegicus	Predicted (SEA)	7.86277
Click to view 3D structure	Cytochrome P450 7A1	P18125	Rattus norvegicus	Predicted (SEA)	7.86277
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	403.96
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	2925.34
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	1432.11
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	1039.6
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	1525.46
Click to view 3D structure	Beta-1 adrenergic receptor	P34971	Mus musculus	Predicted (SEA)	26.4687
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	1295.8
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	4160.96
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	1409.54
Click to view 3D structure	Steroid 21-hydroxylase	P08686	Humans	Predicted (SEA)	28.7264