(S)-Amlodipine (CED0012952)

Record Information
Version1.0
Creation Date2026-04-06 04:11:58 UTC
Update Date2026-05-14 19:04:02 UTC
SynCED IDCED0012952
Secondary Accession Numbers
  • CHEM117401
Identification
Common Name(S)-Amlodipine
ClassSmall Molecule
Description
(S)-Amlodipine is an organic compound with the formula C20H25ClN2O5 and an average molecular weight of 408.88 g/mol. (S)-Amlodipine belongs to the hydropyridines, a subclass of pyridines and derivatives within the organic compounds. This substance is recorded as being found in or released from four sources, including healthcare, pharmaceuticals and veterinary products as calcium channel blockers, household cleaning and consumer products as other smoking requisites, and electrical and electronic equipment such as antennas and electric hearing aids. The recorded route of exposure for this compound is oral. At the molecular level, (S)-Amlodipine interacts with four recorded protein targets. It acts as an agonist or antagonist of the voltage-dependent L-type calcium channel subunit alpha-1C (CACNA1C) and the voltage-dependent L-type calcium channel subunit alpha-1D (CACNA1D). Additionally, it targets nitric oxide synthase 3 (NOS3) and inducible nitric oxide synthase (NOS2).
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC20H25ClN2O5
Average Molecular Mass408.880 g/mol
Monoisotopic Mass408.145 g/mol
CAS Registry Number103129-82-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=C(Cl)C=CC=C1)C(=O)OC
InChI IdentifierInChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
InChI KeyHTIQEAQVCYTUBX-KRWDZBQOSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4j-2029500000-6f84285a27a09d3975adNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gw3-3189000000-2934b69ddcfba1ecb708Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ffx-3293000000-4459172f2e0c2c8495efNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-3007900000-5363cd8b8ca60ece4eeaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08fr-4029200000-2a9e3badde424295bb13Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-9085000000-7db6de7520133d8f4045Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
376.0 Log mg/kg [210:670]RatLD50oralpredictedNot AvailableNot 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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000294Calcium channel blockers?Calcium channel blockers are a class of synthetic chemicals primarily used to manage cardiovascular conditions by inhibiting calcium influx through cell membranes, thereby relaxing blood vessels and reducing heart workload.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000647Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Voltage-dependent L-type calcium channel subunit alpha-1C structureClick to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1CQ13936HumansPredicted (SEA)
Prediction Confidence Score
0.523
Applicability Domain
1.0
Statistical Significance
9.00e-05
Supporting Reference Compounds
71
E-value
0.700643
Click to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1CO35505Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.504
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
25
E-value
0.0778492
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
0.614
Statistical Significance
0.0052
Supporting Reference Compounds
391
E-value
40.5594
Voltage-dependent L-type calcium channel subunit alpha-1C structureClick to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1CP22002Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.448
Applicability Domain
1.0
Statistical Significance
1.20e-04
Supporting Reference Compounds
36
E-value
0.934191
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.442
Applicability Domain
0.614
Statistical Significance
0.0094
Supporting Reference Compounds
1245
E-value
73.0226
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)
Prediction Confidence Score
0.434
Applicability Domain
1.0
Statistical Significance
0.0049
Supporting Reference Compounds
376
E-value
37.9126
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
1.0
Statistical Significance
0.0031
Supporting Reference Compounds
258
E-value
24.1333
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
1.0
Statistical Significance
0.0036
Supporting Reference Compounds
298
E-value
27.87
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.42
Applicability Domain
1.0
Statistical Significance
0.0041
Supporting Reference Compounds
487
E-value
32.1517
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.42
Applicability Domain
1.0
Statistical Significance
0.0033
Supporting Reference Compounds
386
E-value
26.0016
Potassium channel subfamily K member 2 structureClick to view 3D structurePotassium channel subfamily K member 2O95069HumansPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
21
E-value
0.0778492
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.403
Applicability Domain
1.0
Statistical Significance
0.0054
Supporting Reference Compounds
506
E-value
42.2721
Click to view 3D structurePotassium channel subfamily K member 2Q8HY88Bos taurusPredicted (SEA)
Prediction Confidence Score
0.398
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
6
E-value
0.0778492
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
1.0
Statistical Significance
0.01
Supporting Reference Compounds
536
E-value
77.7714
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.419
Statistical Significance
0.0134
Supporting Reference Compounds
825
E-value
104.474
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.614
Statistical Significance
0.0017
Supporting Reference Compounds
146
E-value
13.1565
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.419
Statistical Significance
0.0446
Supporting Reference Compounds
1538
E-value
347.208
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.419
Statistical Significance
0.0122
Supporting Reference Compounds
221
E-value
95.2874
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q8BLA8Mus musculusPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.419
Statistical Significance
2.80e-04
Supporting Reference Compounds
18
E-value
2.17978
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.42
Statistical Significance
0.0478
Supporting Reference Compounds
793
E-value
372.119
Click to view 3D structureDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1CQ14123HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.419
Statistical Significance
0.0013
Supporting Reference Compounds
42
E-value
10.0426
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.329
Statistical Significance
0.0142
Supporting Reference Compounds
139
E-value
110.39
Voltage-dependent L-type calcium channel subunit alpha-1D structureClick to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1DQ01668HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.419
Statistical Significance
4.00e-05
Supporting Reference Compounds
4
E-value
0.311397
Voltage-dependent L-type calcium channel subunit alpha-1C structureClick to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1CP15381Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.419
Statistical Significance
3.00e-04
Supporting Reference Compounds
8
E-value
2.33548
Click to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1DP27732Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.419
Statistical Significance
2.90e-04
Supporting Reference Compounds
8
E-value
2.25763
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available