(-)-Bisoprolol, O-deisopropyl (CED0156988)

Record Information
Version1.0
Creation Date2026-04-06 09:45:37 UTC
Update Date2026-08-28 15:18:34 UTC
SynCED IDCED0156988
Secondary Accession Numbers
  • CHEM122025
Identification
Common Name(-)-Bisoprolol, O-deisopropyl
ClassSmall Molecule
Description
(-)-Bisoprolol, O-deisopropyl is an organic compound with the formula C15H25NO4 and an average molecular weight of 283.36 g/mol. (-)-Bisoprolol, O-deisopropyl belongs to the benzylethers, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been identified in or released from 13 recorded sources across several sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is found in lubricants used in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one further sector. Recorded routes of exposure for this compound include inhalation, oral intake, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC15H25NO4
Average Molecular MassNot Available
Monoisotopic Mass283.178 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)NC[C@@H](COC1=CC=C(C=C1)COCCO)O
InChI IdentifierInChI=1S/C15H25NO4/c1-12(2)16-9-14(18)11-20-15-5-3-13(4-6-15)10-19-8-7-17/h3-6,12,14,16-18H,7-11H2,1-2H3/t14-/m0/s1
InChI KeyAIGGWEPYIOOYLI-AWEZNQCLSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.618
Applicability Domain
0.667
Statistical Significance
8.00e-05
Supporting Reference Compounds
37
E-value
0.622794
Click to view 3D structureBeta-1 adrenergic receptorP18090Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.611
Applicability Domain
0.667
Statistical Significance
7.00e-05
Supporting Reference Compounds
43
E-value
0.544945
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.593
Applicability Domain
0.644
Statistical Significance
1.00e-04
Supporting Reference Compounds
48
E-value
0.778492
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.567
Applicability Domain
0.644
Statistical Significance
3.20e-04
Supporting Reference Compounds
180
E-value
2.49118
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.54
Applicability Domain
0.644
Statistical Significance
0.0029
Supporting Reference Compounds
541
E-value
22.8098
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.536
Applicability Domain
0.644
Statistical Significance
5.10e-04
Supporting Reference Compounds
258
E-value
3.97031
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.459
Applicability Domain
0.577
Statistical Significance
0.0047
Supporting Reference Compounds
562
E-value
36.2777
Click to view 3D structureBeta-2 adrenergic receptorQ28044Bos taurusPredicted (SEA)
Prediction Confidence Score
0.458
Applicability Domain
0.588
Statistical Significance
1.80e-04
Supporting Reference Compounds
16
E-value
1.40129
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)
Prediction Confidence Score
0.414
Applicability Domain
0.431
Statistical Significance
0.0012
Supporting Reference Compounds
145
E-value
9.6533
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.431
Statistical Significance
0.0151
Supporting Reference Compounds
953
E-value
117.552
Click to view 3D structureBeta-1 adrenergic receptorP34971Mus musculusPredicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.644
Statistical Significance
2.30e-04
Supporting Reference Compounds
13
E-value
1.79053
Click to view 3D structureBeta-2 adrenergic receptorP54833Canis lupus familiarisPredicted (SEA)
Prediction Confidence Score
0.405
Applicability Domain
0.542
Statistical Significance
1.70e-04
Supporting Reference Compounds
19
E-value
1.32344
Click to view 3D structureBeta-2 adrenergic receptorP10608Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.403
Applicability Domain
0.667
Statistical Significance
2.50e-04
Supporting Reference Compounds
24
E-value
1.94623
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.394
Applicability Domain
0.431
Statistical Significance
0.0148
Supporting Reference Compounds
1130
E-value
115.295
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.394
Applicability Domain
0.431
Statistical Significance
0.0113
Supporting Reference Compounds
593
E-value
88.0475
Click to view 3D structure5-hydroxytryptamine receptor 1BP28564Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.431
Statistical Significance
0.0037
Supporting Reference Compounds
154
E-value
29.1156
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.577
Statistical Significance
0.0067
Supporting Reference Compounds
308
E-value
52.159
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.431
Statistical Significance
0.0161
Supporting Reference Compounds
686
E-value
125.104
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.431
Statistical Significance
0.0306
Supporting Reference Compounds
955
E-value
238.296
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.431
Statistical Significance
0.0224
Supporting Reference Compounds
823
E-value
174.382
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.431
Statistical Significance
0.0158
Supporting Reference Compounds
536
E-value
122.768
DNA (cytosine-5)-methyltransferase 1 structureClick to view 3D structureDNA (cytosine-5)-methyltransferase 1P13864Mus musculusPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.357
Statistical Significance
2.20e-04
Supporting Reference Compounds
1
E-value
1.71268
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.431
Statistical Significance
0.0743
Supporting Reference Compounds
1498
E-value
578.42
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.431
Statistical Significance
0.0138
Supporting Reference Compounds
337
E-value
107.276
Click to view 3D structureBeta-2 adrenergic receptorP18762Mus musculusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
1.90e-04
Supporting Reference Compounds
1
E-value
1.47914
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available