Antazoline (CED0012006)

Record Information
Version1.0
Creation Date2016-05-25 18:30:17 UTC
Update Date2026-08-19 20:15:10 UTC
SynCED IDCED0012006
Secondary Accession Numbers
  • CHEM022371
Identification
Common NameAntazoline
ClassSmall Molecule
Description
Antazoline belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C17H19N3 and an average molecular weight of 265.35 g/mol. Regarding its biological activity, Antazoline acts as an antagonist of the Histamine H1 receptor (HRH1). There are 10 recorded sources from which this compound is found in or released. Within the healthcare, pharmaceuticals, and veterinary sectors, it is utilized in antihistamines and nasal preparations. In the realm of household cleaning and consumer products, it is associated with tobacco smoke filters and non-electric simulated smoking devices. It is also found in electrical and electronic equipment, specifically in electrodes, electric switches, adjustable resistors, and electrically stimulated smoking devices. Additionally, the compound is recorded in food preservation applications within food, food processing, and cookware, as well as in ladders used in building and construction. The recorded route of exposure for Antazoline is ophthalmic.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
2-(N-Benzylanilinomethyl)-2-imidazolineChEBI
2-(N-Phenyl-N-benzylaminomethyl)imidazolineChEBI
4,5-Dihydro-N-phenyl-N-phenylmethyl-1H-imidazole-2-methanamineChEBI
AntazolinaChEBI
AntazolinumChEBI
PhenazolinHMDB
PhenazolineHMDB
AntistineHMDB
ArithminHMDB
Lannett brand OF antazoline phosphateHMDB
ImidamineHMDB
AntastenHMDB
Antazoline hydrochlorideHMDB
Antazoline phosphateHMDB
AnalergineHMDB
Antazoline phosphate (1:1)HMDB
Hydrochloride, antazolineHMDB
Phosphate, antazolineHMDB
Chemical FormulaC17H19N3
Average Molecular Mass265.353 g/mol
Monoisotopic Mass265.158 g/mol
CAS Registry Number91-75-8
IUPAC NameN-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
Traditional Nameantazoline
SMILESC(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1
InChI IdentifierInChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChI KeyREYFJDPCWQRWAA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenylmethylamines
Direct ParentPhenylbenzamines
Alternative Parents
Substituents
  • Phenylbenzamine
  • Benzylamine
  • Tertiary aliphatic/aromatic amine
  • Aniline or substituted anilines
  • Dialkylarylamine
  • Aralkylamine
  • Imidolactam
  • 2-imidazoline
  • Tertiary amine
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Amidine
  • Carboxylic acid amidine
  • Azacycle
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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
Water Solubility0.11 g/LALOGPS
logP3.22ALOGPS
logP2.88ChemAxon
logS-3.4ALOGPS
pKa (Strongest Basic)9.24ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area27.63 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity82.89 m³·mol⁻¹ChemAxon
Polarizability30.11 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-001i-9000000000-1eb3fa441bd25a0e41a3Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-001i-9000000000-1eb3fa441bd25a0e41a3Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0006-9520000000-acee1c2b85e17e49b750Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-4290000000-4ac08a84ab740fb2f33eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9310000000-cdc9ceb7906b163a7989Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-aeb9552d124a58684bc2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0190000000-2a0590deb8d02d0510f6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03k9-2590000000-294ec8879dd0fa5e4b8fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0kcu-7900000000-a5218dce1e2e912dd19eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-7e22bb674a6dd638c95fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-5190000000-02163279b08dfe80ac6eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-5c02019daf74a4f6ece3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0090000000-eb9a3591bd2583334616Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-3930000000-07adc0d6c79a6a789cfaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0059-8900000000-554f4ffa39078b568dc0Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
237.0 Log mg/kg [130:420]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
CEDs000389Nasal preparations?Nasal preparations, including sprays and drops, are commonly used for therapeutic purposes such as treating allergies, congestion, and infections.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000393Antihistamines?Antihistamines are a class of synthetic chemicals primarily used to alleviate allergic reactions by blocking the action of histamine in the body.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000498Ladders?Ladders, commonly used in various construction and maintenance activities, can become a source of synthetic chemical contamination due to the materials and coatings applied during their manufacture and use.Building & ConstructionPubChem
CEDs000504Adjustable Resistors?Adjustable resistors, commonly used in various electronic devices, can contribute to synthetic chemical contamination through the materials and substances used in their manufacturing and disposal.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.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
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
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
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
CEDs000588Inflatable Life Saving Equipment?Inflatable Life Saving Equipment (ILSE) is commonly made from synthetic materials such as polyvinyl chloride (PVC), thermoplastic polyurethane (TPU), or nylon coated with polymer films.Marine, shipping & aquaculturePubChem
CEDs000589Life Buoys?Life buoys, commonly used in marine environments for safety and rescue operations, can be a source of synthetic chemical contamination due to the materials used in their production.Marine, shipping & aquaculturePubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.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
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.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
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.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
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.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
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.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
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsPubChem
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
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
Pathways
5 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Nischarin structureClick to view 3D structureNischarinQ9Y2I1HumansPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
0.452
Statistical Significance
1.90e-04
Supporting Reference Compounds
37
E-value
1.47914
Click to view 3D structureNischarinQ4G017Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.452
Statistical Significance
2.80e-04
Supporting Reference Compounds
18
E-value
2.17978
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.42
Statistical Significance
0.0069
Supporting Reference Compounds
376
E-value
54.1052
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.42
Statistical Significance
0.004
Supporting Reference Compounds
258
E-value
31.2175
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.403
Applicability Domain
0.42
Statistical Significance
0.0043
Supporting Reference Compounds
386
E-value
33.4752
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.42
Statistical Significance
0.0041
Supporting Reference Compounds
340
E-value
31.6068
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.42
Statistical Significance
0.0065
Supporting Reference Compounds
298
E-value
50.9912
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.42
Statistical Significance
0.009
Supporting Reference Compounds
487
E-value
70.1422
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorQ28838Bos taurusPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.452
Statistical Significance
5.10e-04
Supporting Reference Compounds
32
E-value
3.97031
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.375
Statistical Significance
0.0579
Supporting Reference Compounds
953
E-value
450.513
Glucose-6-phosphatase catalytic subunit 1 structureClick to view 3D structureGlucose-6-phosphatase catalytic subunit 1P35575HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.31
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Click to view 3D structureAlpha-1A adrenergic receptorP18130Bos taurusPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.42
Statistical Significance
0.0069
Supporting Reference Compounds
85
E-value
53.7938
5-hydroxytryptamine receptor 1D structureClick to view 3D structure5-hydroxytryptamine receptor 1DP28221HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.405
Statistical Significance
0.0263
Supporting Reference Compounds
365
E-value
205.133
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.42
Statistical Significance
0.0964
Supporting Reference Compounds
1130
E-value
750.856
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.42
Statistical Significance
0.0816
Supporting Reference Compounds
955
E-value
635.016
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.385
Statistical Significance
0.1765
Supporting Reference Compounds
1498
E-value
1374.12
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.42
Statistical Significance
0.0729
Supporting Reference Compounds
823
E-value
567.832
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.42
Statistical Significance
0.0694
Supporting Reference Compounds
686
E-value
540.585
Click to view 3D structureAlpha-1A adrenergic receptorP43140Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.42
Statistical Significance
0.0294
Supporting Reference Compounds
208
E-value
228.877
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.341
Statistical Significance
0.0101
Supporting Reference Compounds
77
E-value
78.7056
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.42
Statistical Significance
0.0842
Supporting Reference Compounds
562
E-value
655.413
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.385
Statistical Significance
0.2119
Supporting Reference Compounds
1245
E-value
1649.47
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.385
Statistical Significance
0.1188
Supporting Reference Compounds
825
E-value
924.771
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.405
Statistical Significance
0.0491
Supporting Reference Compounds
337
E-value
382.551
Click to view 3D structureAlpha-1B adrenergic receptorP15823Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.42
Statistical Significance
0.0262
Supporting Reference Compounds
130
E-value
203.887
Concentrations
Not Available
External Links
DrugBank IDDB08799
HMDB IDHMDB0015689
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkAntazoline
Chemspider ID2115
ChEBI ID84115
PubChem Compound ID2200
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available