Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:06:51 UTC |
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Update date | 2019-11-26 03:00:46 UTC |
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Primary ID | FDB005796 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Satiomem |
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Description | Carbinoxamine, also known as carbinoxamine maleate or clistin, is a member of the class of compounds known as benzylethers. Benzylethers are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). Carbinoxamine is practically insoluble (in water) and a very strong basic compound (based on its pKa). Carbinoxamine can be found in barley and garden onion, which makes carbinoxamine a potential biomarker for the consumption of these food products. Carbinoxamine can be found primarily in blood and urine. In humans, carbinoxamine is involved in the carbinoxamine h1-antihistamine action. Carbinoxamine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Carbinoxamine is a drug which is used for symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Carbinoxamine (Clistin, Palgic, Rondec, Rhinopront) is a antihistamine and anticholinergic agent. It was first launched in the United States by the McNeil Corporation under the brand name Clistin. It is now available under the brand name Palgic as 4 mg tablets or 4 mg/5 mL liquid. It is approved by the U.S. Food and Drug Administration (FDA) (specifically at the 4 mg dose/strength) for hay fever (a.k.a. allergic rhinitis, SAR and PAR); vasomotor rhinitis; mild urticaria; angioedema, dermatographism and allergic conjunctivitis. Carbinoxamine is a histamine antagonist, specifically an H1-antagonist. The maleic acid salt of the levorotatory isomer is sold as the prescription drug rotoxamine . Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamine's anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown (DrugBank). Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamine's anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown (T3DB). |
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CAS Number | 486-16-8 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C16H19ClN2O |
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IUPAC name | {2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]ethyl}dimethylamine |
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InChI Identifier | InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3 |
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InChI Key | OJFSXZCBGQGRNV-UHFFFAOYSA-N |
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Isomeric SMILES | CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 |
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Average Molecular Weight | 290.788 |
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Monoisotopic Molecular Weight | 290.118590947 |
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Classification |
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Description | Belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzylethers |
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Direct Parent | Benzylethers |
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Alternative Parents | |
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Substituents | - Benzylether
- Chlorobenzene
- Halobenzene
- Aryl chloride
- Aryl halide
- Pyridine
- Heteroaromatic compound
- Tertiary aliphatic amine
- Tertiary amine
- Dialkyl ether
- Ether
- Azacycle
- Organoheterocyclic compound
- Organohalogen compound
- Organic nitrogen compound
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Organochloride
- Organonitrogen compound
- Organooxygen compound
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Biological location: |
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Role | Industrial application: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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EI-MS | Mass Spectrum (Electron Ionization) | splash10-0ab9-9200000000-c3abf61d5cdaa81de77d | 2014-09-20 | View Spectrum | GC-MS | Satiomem, non-derivatized, GC-MS Spectrum | splash10-0ab9-9000000000-a413c068c7a879eb2068 | Spectrum | GC-MS | Satiomem, non-derivatized, GC-MS Spectrum | splash10-0ab9-9000000000-a413c068c7a879eb2068 | Spectrum | Predicted GC-MS | Satiomem, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0pb9-9180000000-b7d95742727b1ef0a3c4 | Spectrum | Predicted GC-MS | Satiomem, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - , positive | splash10-0uxr-0490000000-9ece1371a4992f21aa52 | 2017-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-1090000000-eecfc1a96c21589df023 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-006x-4090000000-f55a8c538f446792b084 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-9210000000-cc26b029a0e987b18446 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-dbe5de39fc21f0c12088 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00kr-0190000000-757e5fdc2e3d83027d7a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-7890000000-70eeab9a0ba6cc4b2449 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0f6x-0090000000-8e6319ead8805445ce4f | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0090000000-b1b5900f97954c8ed449 | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uk9-5090000000-c844f1f981eb3e25a3bf | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-f8ccd79e440175ba372a | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0gb9-2190000000-37dda60416c010f365ad | 2021-10-11 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0gb9-4490000000-742d9da4f019f9a49ad2 | 2021-10-11 | View Spectrum |
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NMR | |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | SATIOMEM |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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