xi-Norepinephrine (CED0087522)

Record Information
Version1.0
Creation Date2016-05-26 02:27:27 UTC
Update Date2026-04-05 17:28:18 UTC
Accession NumberCHEM031185
Identification
Common Namexi-Norepinephrine
ClassSmall Molecule
Description
xi-Norepinephrine is an organic compound with the formula C8H11NO3 and an average molecular weight of 169.18 g/mol. xi-Norepinephrine belongs to the benzenediols, a subclass of phenols within the organic compounds. This compound is found in or released from 27 recorded sources across several categories. Within electrical and electronic equipment, it is associated with amplifiers, antennas, auxiliary devices, electric hearing aids, and conductors or conductive bodies characterised by the conductive materials. In the context of household cleaning and consumer products, it is linked to cigar cigarettes, non electric simulated smoking devices, other smoking requisites, pipe accessories, and perfumes within detergents and soaps, among four other sources. Regarding food, food processing and cookware, the compound is identified in food preservation, the preparation of vinegar, and fermentation processes for beer. Additionally, it is found in building and construction materials, specifically ladders and ceilings.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(-)-ArterenolChEBI
(-)-NoradrenalineChEBI
(-)-NorepinephrineChEBI
(R)-(-)-NorepinephrineChEBI
(R)-4-(2-amino-1-Hydroxyethyl)-1,2-benzenediolChEBI
(R)-NorepinephrineChEBI
4-[(1R)-2-amino-1-Hydroxyethyl]-1,2-benzenediolChEBI
ArterenolChEBI
L-NoradrenalineChEBI
L-NorepinephrineChEBI
NoradrenalineChEBI
NorepinefrinaChEBI
NorepinephrinumChEBI
(-)-(R)-NorepinephrineHMDB
(-)-alpha-(Aminomethyl)protocatechuyl alcoholHMDB
(R)-NoradrenalineHMDB
4-(2-amino-1-Hydroxyethyl)-1,2-benzenediolHMDB
AdrenorHMDB
AktaminHMDB
L-2-amino-1-(3,4-Dihydroxyphenyl)ethanolHMDB
L-3,4-DihydroxyphenylethanolamineHMDB
L-alpha-(Aminomethyl)-3,4-dihydroxybenzyl alcoholHMDB
L-ArterenolHMDB
LevarterenolHMDB, MeSH
LevoarterenolHMDB
LevonorHMDB, MeSH
LevonoradrenalineHMDB
LevonorepinephrineHMDB, MeSH
LevophedHMDB, MeSH
Nor-epirenanHMDB
NoradrenalinHMDB
NorartrinalHMDB
NorepirenamineHMDB
Sympathin EHMDB
Chemical FormulaC8H11NO3
Average Molecular Mass169.178 g/mol
Monoisotopic Mass169.074 g/mol
CAS Registry Number586-17-4
IUPAC Name4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
Traditional Namenorepinephrine
SMILESNCC(O)C1=CC(O)=C(O)C=C1
InChI IdentifierInChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
InChI KeySFLSHLFXELFNJZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassBenzenediols
Direct ParentCatechols
Alternative Parents
Substituents
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Monocyclic benzene moiety
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Organic nitrogen compound
  • Aromatic alcohol
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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 Properties
PropertyValueSource
logP-0.68ChemAxon
pKa (Strongest Acidic)9.5ChemAxon
pKa (Strongest Basic)8.85ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area86.71 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity44.46 m³·mol⁻¹ChemAxon
Polarizability16.96 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-00di-1900000000-7c276dc87ffc587a13a2Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-1900000000-7c276dc87ffc587a13a2Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-001i-9700000000-f689a79fc40dd7d610c9Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0089-8079000000-9a53f611d3693ebb51c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uk9-0900000000-3d6d08077184bc7a41e2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f79-0900000000-470ddb022c86b9ee2fdcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zgr-7900000000-c1bd5e2d31685ca3b0c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0900000000-9eabcf1f0c800fc62a37Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gi9-0900000000-2ff1cb280b5fe5254689Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-4900000000-c16efed37585b9aac58aNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
239.0Log mg/kg[130:430]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
495CeilingsBuilding & ConstructionNot Available
498LaddersBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
566Tobacco PipesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
634BucklesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
651Purses Money Bags WalletsTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAlpha-2A adrenergic receptorQ01338Mus musculusPredicted (SEA)0.0778492
Click to view 3D structureAlpha-2C adrenergic receptorQ01337Mus musculusPredicted (SEA)0.0778492
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)0.233548
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)0.622794
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)2.95827
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)0.622794
Click to view 3D structureBeta-1 adrenergic receptorP18090Rattus norvegicusPredicted (SEA)0.622794
Click to view 3D structureBeta-2 adrenergic receptorP54833Canis lupus familiarisPredicted (SEA)0.0778492
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)1.40129
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)2.64687
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)2.88042
Click to view 3D structureTyR1H9TVJ1Chilo suppressalisPredicted (SEA)0.0778492
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)2.64687
Click to view 3D structureBeta-2 adrenergic receptorP10608Rattus norvegicusPredicted (SEA)0.155698
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)2.88042
Click to view 3D structureTaste receptor type 2 member 50P59544HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 45P59539HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 42Q7RTR8HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 41P59536HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 7Q9NYW3HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 30P59541HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 60P59551HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 19P59542HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 20P59543HumansPredicted (SEA)0.544945
Click to view 3D structureTaste receptor type 2 member 1Q9NYW7HumansPredicted (SEA)0.544945
Concentrations
Not Available
External Links
DrugBank IDDB00368
HMDB IDHMDB0000216
FooDB IDFDB016812
Phenol Explorer IDNot Available
KNApSAcK IDC00001424
BiGG ID35313
BioCyc IDNot Available
METLIN ID5226
PDB IDNot Available
Wikipedia LinkNorepinephrine
Chemspider ID388394
ChEBI ID18357
PubChem Compound ID439260
Kegg Compound IDC00547
YMDB IDNot Available
ECMDB IDM2MDB005081
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
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