Record Information |
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Version | 4.0 |
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Status | Expected but not Quantified |
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Creation Date | 2006-05-18 09:20:41 UTC |
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Update Date | 2017-12-27 02:26:11 UTC |
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HMDB ID | HMDB0001944 |
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Secondary Accession Numbers | - HMDB0004994
- HMDB01944
- HMDB04994
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Metabolite Identification |
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Common Name | Chlorpheniramine |
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Description | Chlorpheniramine is a histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than Promethazine. -- Pubchem; Chlorphenamine or chlorpheniramine, commonly marketed as its salt chlorphenamine maleate (Chlor- Trimeton, Piriton, Chlor- Tripolon), is a first generation antihistamine used in the prevention of the symptoms of allergic conditions such as rhinitis and urticaria.- wikipedia. |
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Structure | |
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Synonyms | Value | Source |
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1-(P-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane | ChEBI | 1-(P-Chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine | ChEBI | 2-[P-chloro-alpha-[2-(dimethylamino)Ethyl]benzyl]pyridine | ChEBI | 3-(P-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine | ChEBI | Chlorophenylpyridamine | ChEBI | Chlorphenamin | ChEBI | Chlorphenaminum | ChEBI | Chlorpheniraminum | ChEBI | Clofeniramina | ChEBI | Clorfenamina | ChEBI | Clorfeniramina | ChEBI | gamma-(4-Chlorophenyl)-gamma-(2-pyridyl)propyldimethylamine | ChEBI | gamma-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine | ChEBI | Haynon | ChEBI | 2-[P-chloro-a-[2-(dimethylamino)Ethyl]benzyl]pyridine | Generator | 2-[P-chloro-α-[2-(dimethylamino)ethyl]benzyl]pyridine | Generator | g-(4-Chlorophenyl)-g-(2-pyridyl)propyldimethylamine | Generator | γ-(4-chlorophenyl)-γ-(2-pyridyl)propyldimethylamine | Generator | g-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine | Generator | γ-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine | Generator | Chlor-trimeton | HMDB | Chloropheniramine maleate | HMDB | Chlorphenamine hydrogen maleate | HMDB | Chlorphenamine maleate | HMDB | Chlorpheniaramine maleate | HMDB | Chlorpheniramine maleate | HMDB | Teldrin | HMDB | Aller-chlor | MeSH | Chlor-tripolon | MeSH | Chlorpro | MeSH | cloro-Trimeton | MeSH | Kloromin | MeSH | Maleate, chlorpheniramine | MeSH | Piriton | MeSH | Rugby brand OF chlorpheniramine maleate | MeSH | Schering-plough brand OF chlorpheniramine maleate | MeSH | Tannate, chlorpheniramine | MeSH | Bayer brand OF chlorpheniramine maleate | MeSH | chlo-Amine | MeSH | Chlorphenamine | MeSH | Hogil brand 1 OF chlorpheniramine maleate | MeSH | Llorens brand OF chlorpheniramine maleate | MeSH | Schering brand OF chlorpheniramine maleate | MeSH | Vortech brand 1 OF chlorpheniramine maleate | MeSH | antihistaminico Llorens | MeSH | Chlorprophenpyridamine | MeSH | Chlorspan 12 | MeSH | Chlortab-4 | MeSH | Halsey drug brand OF chlorpheniramine maleate | MeSH | Stafford-miller brand OF chlorpheniramine maleate | MeSH | Vortech brand 3 OF chlorpheniramine maleate | MeSH | Chlor-100 | MeSH | Chlorpheniramine tannate | MeSH | Efidac 24 | MeSH | Hogil brand 2 OF chlorpheniramine maleate | MeSH | Intra brand OF chlorpheniramine maleate | MeSH | Schein brand OF chlorpheniramine maleate | MeSH | Vortech brand 2 OF chlorpheniramine maleate | MeSH |
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Chemical Formula | C16H19ClN2 |
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Average Molecular Weight | 274.788 |
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Monoisotopic Molecular Weight | 274.123676325 |
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IUPAC Name | [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine |
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Traditional Name | chlorpheniramine |
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CAS Registry Number | 113-92-8 |
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SMILES | CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 |
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InChI Identifier | InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 |
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InChI Key | SOYKEARSMXGVTM-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as pheniramines. These are compounds containing a pheniramine moiety, which is structurally characterized by the presence of a 2-benzylpyridine linked to an dimethyl(propyl)amine to form a dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine skeleton. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyridines and derivatives |
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Sub Class | Pheniramines |
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Direct Parent | Pheniramines |
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Alternative Parents | |
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Substituents | - Pheniramine
- Chlorobenzene
- Halobenzene
- Aralkylamine
- Aryl chloride
- Benzenoid
- Monocyclic benzene moiety
- Aryl halide
- Heteroaromatic compound
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Organic nitrogen compound
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Amine
- Hydrocarbon derivative
- Organopnictogen 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 | Route of exposure: Biological location: |
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Process | Naturally occurring process: |
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Role | Biological role: Industrial application: |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 130 - 135 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 160 mg/mL at 25 °C | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-0zfr-6290000000-2ca3230cde716588805e | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-9380000000-f4a0f7b13adeafb1762d | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated) | splash10-01b9-3900000000-ea4ccfd2afe05f49fc7a | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated) | splash10-004i-0090000000-9e46eb080de95d4f8f8e | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated) | splash10-014i-1920000000-d2d2acf559d9070a1d47 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - EI-B (Unknown) , Positive | splash10-0zfr-6190000000-2ca3230cde716588805e | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-0uy0-0960000000-1f750af75fe542c6c06f | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-001i-0290000000-03651b7b90a1745fdf23 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-0uy0-0960000000-1f750af75fe542c6c06f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-9b4d486e9c2c7712ca4d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0059-0190000000-2c96b165338a445b284d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ue9-3960000000-73025748bd5a00459938 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-90a6e640c735788d17ca | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-1090000000-89ac3cf688134ba8a50b | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01tc-6490000000-4242ef7cec7b0b0a7393 | View in MoNA |
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MS | Mass Spectrum (Electron Ionization) | splash10-0zfr-6490000000-8e58cd1c686f23a7dac6 | View in MoNA |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | View in JSpectraViewer |
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General References | - Bantz EW, Dolen WK, Chadwick EW, Nelson HS: Chronic chlorpheniramine therapy: subsensitivity, drug metabolism, and compliance. Ann Allergy. 1987 Nov;59(5):341-6. [PubMed:3688558 ]
- Simons FE, Silver NA, Gu X, Simons KJ: Clinical pharmacology of H1-antihistamines in the skin. J Allergy Clin Immunol. 2002 Nov;110(5):777-83. [PubMed:12417888 ]
- MSDS [Link]
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