Record Information |
---|
Version | 1.0 |
---|
Creation date | 2011-09-21 00:19:09 UTC |
---|
Update date | 2018-05-28 18:33:55 UTC |
---|
Primary ID | FDB022759 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | Chlorpheniramine |
---|
Description | 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 [HMDB] |
---|
CAS Number | 113-92-8 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
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 | Chlorphenamine | Kegg | 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 | HMDB | Chlor-tripolon | HMDB | Chlorpro | HMDB | Cloro-trimeton | HMDB | Kloromin | HMDB | Maleate, chlorpheniramine | HMDB | Piriton | HMDB | Rugby brand OF chlorpheniramine maleate | HMDB | Schering-plough brand OF chlorpheniramine maleate | HMDB | Tannate, chlorpheniramine | HMDB | Bayer brand OF chlorpheniramine maleate | HMDB | Chlo-amine | HMDB | Hogil brand 1 OF chlorpheniramine maleate | HMDB | Llorens brand OF chlorpheniramine maleate | HMDB | Schering brand OF chlorpheniramine maleate | HMDB | Vortech brand 1 OF chlorpheniramine maleate | HMDB | Antihistaminico llorens | HMDB | Chlorprophenpyridamine | HMDB | Chlorspan 12 | HMDB | Chlortab-4 | HMDB | Halsey drug brand OF chlorpheniramine maleate | HMDB | Stafford-miller brand OF chlorpheniramine maleate | HMDB | Vortech brand 3 OF chlorpheniramine maleate | HMDB | Chlor-100 | HMDB | Chlorpheniramine tannate | HMDB | Efidac 24 | HMDB | Hogil brand 2 OF chlorpheniramine maleate | HMDB | Intra brand OF chlorpheniramine maleate | HMDB | Schein brand OF chlorpheniramine maleate | HMDB | Vortech brand 2 OF chlorpheniramine maleate | HMDB | 1-(P-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane | ChEBI | 1-(P-Chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine | ChEBI | 2-[P-chloro-a-[2-(dimethylamino)Ethyl]benzyl]pyridine | Generator | 2-[P-chloro-alpha-[2-(dimethylamino)Ethyl]benzyl]pyridine | ChEBI | 2-[P-chloro-α-[2-(dimethylamino)ethyl]benzyl]pyridine | Generator | 3-(P-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine | ChEBI | chlorphenamine hydrogen maleate | hmdb | Chlorphenamine Maleate | hmdb | chlorpheniaramine maleate | hmdb | Chlorpheniramine | hmdb | Chlorpheniramine Maleate | hmdb | γ-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine | Generator | γ-(4-chlorophenyl)-γ-(2-pyridyl)propyldimethylamine | Generator |
|
---|
Predicted Properties | |
---|
Chemical Formula | C16H19ClN2 |
---|
IUPAC name | [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine |
---|
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 |
---|
InChI Key | SOYKEARSMXGVTM-UHFFFAOYSA-N |
---|
Isomeric SMILES | CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 |
---|
Average Molecular Weight | 274.788 |
---|
Monoisotopic Molecular Weight | 274.123676325 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as pheniramines. Pheniramines 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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Pyridines and derivatives |
---|
Sub Class | Pheniramines |
---|
Direct Parent | Pheniramines |
---|
Alternative Parents | |
---|
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
|
---|
Molecular Framework | Aromatic heteromonocyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
|
Disposition | Route of exposure: Biological location: |
---|
Role | Biological role: Industrial application: |
---|
Physico-Chemical Properties - Experimental |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Solid | |
---|
Physical Description | Not Available | |
---|
Mass Composition | Not Available | |
---|
Melting Point | Not Available | |
---|
Boiling Point | Not Available | |
---|
Experimental Water Solubility | Not Available | |
---|
Experimental logP | Not Available | |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | Not Available | |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | Not Available | |
---|
Refractive Index | Not Available | |
---|
|
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
EI-MS | Mass Spectrum (Electron Ionization) | splash10-0zfr-6490000000-8e58cd1c686f23a7dac6 | Spectrum | GC-MS | Chlorpheniramine, non-derivatized, GC-MS Spectrum | splash10-0zfr-6290000000-2ca3230cde716588805e | Spectrum | GC-MS | Chlorpheniramine, non-derivatized, GC-MS Spectrum | splash10-0zfr-6290000000-2ca3230cde716588805e | Spectrum | Predicted GC-MS | Chlorpheniramine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4i-9380000000-f4a0f7b13adeafb1762d | Spectrum | Predicted GC-MS | Chlorpheniramine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Chlorpheniramine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Chlorpheniramine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated) | splash10-01b9-3900000000-ea4ccfd2afe05f49fc7a | Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated) | splash10-004i-0090000000-9e46eb080de95d4f8f8e | Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated) | splash10-014i-1920000000-d2d2acf559d9070a1d47 | Spectrum | MS/MS | LC-MS/MS Spectrum - EI-B (Unknown) , Positive | splash10-0zfr-6190000000-2ca3230cde716588805e | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-0uy0-0960000000-1f750af75fe542c6c06f | Spectrum | MS/MS | LC-MS/MS Spectrum - , positive | splash10-001i-0290000000-03651b7b90a1745fdf23 | Spectrum | MS/MS | LC-MS/MS Spectrum - , positive | splash10-0uy0-0960000000-1f750af75fe542c6c06f | Spectrum | MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-001i-0490000000-3d28aeb0e77391e8e9b2 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-9b4d486e9c2c7712ca4d | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0059-0190000000-2c96b165338a445b284d | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ue9-3960000000-73025748bd5a00459938 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-90a6e640c735788d17ca | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-1090000000-89ac3cf688134ba8a50b | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01tc-6490000000-4242ef7cec7b0b0a7393 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-c38223f80e776a39c840 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-5c9ac02f7374772460c8 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ue9-1290000000-cc70655f6b19de3dc41d | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-df52e539d08e1efa7d95 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-4390000000-4b1316bcb291af4998c9 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ue9-8490000000-4bf6d67eb7d38a21b96b | Spectrum |
|
---|
NMR | Type | Description | | View |
---|
1D NMR | 1H NMR Spectrum | | Spectrum | 2D NMR | [1H,13C] 2D NMR Spectrum | | Spectrum |
|
---|
External Links |
---|
ChemSpider ID | 2624 |
---|
ChEMBL ID | CHEMBL505 |
---|
KEGG Compound ID | C06905 |
---|
Pubchem Compound ID | 2725 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | DB01114 |
---|
HMDB ID | HMDB01944 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Chlorpheniramine |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Name | Gene Name | UniProt ID |
---|
Histamine H1 receptor | HRH1 | P35367 |
|
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Flavor | Citations |
---|
bitter |
- Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
|
|
---|
Files |
---|
MSDS | show |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | |
---|