| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:27:01 UTC |
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| Update Date | 2016-11-09 01:15:51 UTC |
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| Accession Number | CHEM018683 |
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| Identification |
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| Common Name | Tripelennamine citrate |
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| Class | Small Molecule |
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| Description | Tripelennamine, sold under the brand name Pyribenzamine by Novartis, is a drug that is used as an antipruritic and first-generation antihistamine. It can be used in the treatment of asthma, hay fever, rhinitis and urticaria, but is now less common as it has been replaced by newer antihistamines. The drug was patented at CIBA, which merged with Geigy into Ciba-Geigy, and eventually becoming Novartis. |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| PBZ | Kegg | | Tripelennamine citric acid | Generator | | Tripelennamine hydrochloride | MeSH | | Tripelennamine maleate (1:1) | MeSH | | Pyribenzamine | MeSH | | Tripelennamine | MeSH | | Tripelennamine maleate | MeSH | | Azaron | MeSH | | Vetibenzamin | MeSH | | Tripelennamine citrate (1:1) | MeSH | | Histantin | MeSH | | Tripelennamine monohydrochloride | MeSH | | Asid bonz brand OF tripelennamine hydrochloride | MeSH | | chefaro Brand OF tripelennamine | MeSH | | Parnell brand OF tripelennamine hydrochloride | MeSH |
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| Chemical Formula | C22H29N3O7 |
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| Average Molecular Mass | 447.488 g/mol |
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| Monoisotopic Mass | 447.201 g/mol |
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| CAS Registry Number | 6138-56-3 |
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| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid; N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine |
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| Traditional Name | citric acid; tripelennamine |
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| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1 |
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| InChI Identifier | InChI=1S/C16H21N3.C6H8O7/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
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| InChI Key | GGRBYIUPUOYRLQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group. |
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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 | Benzylamines |
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| Direct Parent | 2-benzylaminopyridines |
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| Alternative Parents | |
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| Substituents | - 2-benzylaminopyridine
- Tricarboxylic acid or derivatives
- Dialkylarylamine
- Aminopyridine
- Pyridine
- Imidolactam
- Heteroaromatic compound
- Tertiary aliphatic amine
- Tertiary amine
- Organoheterocyclic compound
- Azacycle
- Hydrocarbon derivative
- Organic nitrogen compound
- Organopnictogen compound
- Amine
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0000900000-8f3c93e11c6827fe6f3e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0000900000-8f3c93e11c6827fe6f3e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-0000900000-8f3c93e11c6827fe6f3e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0000900000-6de3ebea75facbf9a516 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0000900000-6de3ebea75facbf9a516 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-0000900000-6de3ebea75facbf9a516 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DBSALT001316 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Tripelennamine |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 197066 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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