| Record Information |
|---|
| Version |
3.5 |
| Creation Date |
2006-05-18 03:20:41 -0600 |
| Update Date |
2013-10-17 16:15:57 -0600 |
| HMDB ID |
HMDB01944 |
| Secondary Accession Numbers |
|
| Metabolite Identification |
|---|
| Common Name |
Chlorpheniramine |
| 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. |
| Structure |
Download:
MOL |
SDF |
PDB |
SMILES |
InChI
Display:
2D Structure |
3D Structure
|
| Synonyms |
- Chlor-trimeton
- Chloropheniramine maleate
- Chlorphenamine hydrogen maleate
- Chlorphenamine Maleate
- Chlorpheniaramine maleate
- Chlorpheniramine
- Chlorpheniramine Maleate
- Teldrin
|
| Chemical Formula |
C16H19ClN2 |
| Average Molecular Weight |
274.788 |
| Monoisotopic Molecular Weight |
274.123676325 |
| IUPAC Name |
[3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine |
| Traditional IUPAC Name |
chlorpheniramine |
| CAS Registry Number |
113-92-8 |
| SMILES |
CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 |
| 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 |
| Chemical Taxonomy |
|---|
| Kingdom |
Organic Compounds |
| Super Class |
Aromatic Heteropolycyclic Compounds |
| Class |
Pheniramines |
| Sub Class |
N/A |
| Other Descriptors |
- Aromatic Heteropolycyclic Compounds
- pyridines(ChEBI)
|
| Substituents |
- Aryl Chloride
- Chlorobenzene
- Organochloride
- Phenylpropylamine
- Pyridine
- Tertiary Aliphatic Amine (Trialkylamine)
|
| Direct Parent |
Pheniramines |
| Ontology |
|---|
| Status |
Expected and Not Quantified |
| Origin |
|
| Biofunction |
Not Available
|
| Application |
Not Available
|
| Cellular locations |
- Membrane (predicted from logP)
|
| Physical Properties |
|---|
| State |
Solid |
| Experimental Properties |
| Property |
Value |
Reference |
| Melting Point |
130 - 135 °C |
Not Available |
| Boiling Point |
Not Available |
Not Available |
| Water Solubility |
160.0 mg/mL at 25 °C |
Not Available |
| LogP |
Not Available |
Not Available |
|
| Predicted Properties |
|
| Spectra |
|---|
|
|
| Biological Properties |
|---|
| Cellular Locations |
- Membrane (predicted from logP)
|
| Biofluid Locations |
Not Available
|
| Tissue Location |
|
| Pathways |
Not Available
|
| Normal Concentrations |
|---|
|
Not Available |
| Abnormal Concentrations |
|---|
|
Not Available |
| Associated Disorders and Diseases |
|---|
| Disease References |
None |
| Associated OMIM IDs |
None |
| External Links |
|---|
| DrugBank ID |
DB01114  |
| DrugBank Metabolite ID |
Not Available |
| Phenol Explorer Compound ID |
Not Available |
| Phenol Explorer Metabolite ID |
Not Available |
| FoodDB ID |
FDB022759 |
| KNApSAcK ID |
Not Available |
| Chemspider ID |
2624 |
| KEGG Compound ID |
C06905 |
| BioCyc ID |
Not Available |
| BiGG ID |
Not Available |
| Wikipedia Link |
Chlorpheniramine |
| NuGOwiki Link |
HMDB01944 |
| Metagene Link |
HMDB01944 |
| METLIN ID |
1734 |
| PubChem Compound |
2725 |
| PDB ID |
Not Available |
| ChEBI ID |
52010 |
| References |
|---|
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Download (PDF)
|
| 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
|
