Record Information |
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Version | 1.0 |
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Creation Date | 2016-06-03 10:28:12 UTC |
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Update Date | 2016-11-09 01:22:50 UTC |
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Accession Number | CHEM042968 |
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Identification |
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Common Name | noxiptilin |
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Class | Small Molecule |
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Description | Noxiptiline (brand names Agedal, Elronon, Nogedal), also known as noxiptyline and dibenzoxine, is a tricyclic antidepressant (TCA) that was introduced in Europe in the 1970s for the treatment of depression. It has imipramine-like effects, acting as a serotonin and norepinephrine reuptake inhibitor, among other properties. Of the TCAs, noxiptiline has been described as one of the most effective, rivaling amitriptyline in clinical efficacy. |
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Contaminant Sources | |
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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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Bayer 1521 | MeSH | Elronon | MeSH | Noxiptilin | MeSH | Noxyptyline | MeSH | Noxiptyline | MeSH | Bayer-1521 | MeSH | Agedal | MeSH | Dibenzoxin | MeSH | Noxiptilin monohydrochloride | MeSH | Noxiptilin hydrochloride | MeSH |
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Chemical Formula | C19H22N2O |
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Average Molecular Mass | 294.398 g/mol |
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Monoisotopic Mass | 294.173 g/mol |
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CAS Registry Number | 3362-45-6 |
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IUPAC Name | dimethyl({2-[({tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}amino)oxy]ethyl})amine |
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Traditional Name | dimethyl[2-({tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylideneamino}oxy)ethyl]amine |
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SMILES | CN(C)CCON=C1C2=CC=CC=C2CCC2=CC=CC=C12 |
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InChI Identifier | InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3 |
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InChI Key | GPTURHKXTUDRPC-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as dibenzocycloheptenes. Dibenzocycloheptenes are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Dibenzocycloheptenes |
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Sub Class | Not Available |
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Direct Parent | Dibenzocycloheptenes |
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Alternative Parents | |
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Substituents | - Dibenzocycloheptene
- Tertiary aliphatic amine
- Tertiary amine
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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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 | splash10-052b-6090000000-6d19f5a98a180149c63c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9140000000-02ce2f1944368d94b051 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9510000000-69dc4f5e35a7b7203bc8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0190000000-50744c7162a0b9b5330b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zfr-0190000000-47aadaf26da6310da1a1 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f6x-9450000000-a636c90f211778471238 | 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 | Not Available |
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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 | Noxiptiline |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | 21087 |
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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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