| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:05:22 UTC |
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| Update Date | 2016-11-09 01:15:45 UTC |
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| Accession Number | CHEM018242 |
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| Identification |
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| Common Name | Tetrahydrozoline hydrochloride |
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| Class | Small Molecule |
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| Description | Not Available |
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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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| Tyzine | Kegg | | Tetraclear | MeSH | | 2-(1,2,3,4-tetrahydro-1-Naphthyl)-2-imidazoline | MeSH | | Caltheon | MeSH | | Collyrium fresh | MeSH | | Vasopos | MeSH | | Tetrahydrozoline, (+-)-isomer | MeSH | | Berberil N | MeSH | | Murine plus | MeSH | | Tetrahydrozoline hydrochloride | MeSH | | Tetrahydrozoline monohydrochloride | MeSH | | Ophtalmin | MeSH | | Tetra-ide | MeSH | | Tetrilin | MeSH | | Optigene | MeSH | | Vispring | MeSH | | Tetrahydrozoline, (-)-isomer | MeSH | | Diabenyl T | MeSH | | Eye-zine | MeSH | | Murine sore eyes | MeSH | | Optazine fresh | MeSH | | Rhinopront | MeSH | | Visine | MeSH | | Eye-sine | MeSH | | Yxin | MeSH | | Tetrahydrozoline | MeSH | | Tetryzoline | MeSH |
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| Chemical Formula | C13H17ClN2 |
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| Average Molecular Mass | 236.740 g/mol |
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| Monoisotopic Mass | 236.108 g/mol |
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| CAS Registry Number | 522-48-5 |
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| IUPAC Name | 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride |
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| Traditional Name | visine hydrochloride |
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| SMILES | Cl.C1CN=C(N1)C1CCCC2=CC=CC=C12 |
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| InChI Identifier | InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H |
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| InChI Key | BJORNXNYWNIWEY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Tetralins |
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| Sub Class | Not Available |
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| Direct Parent | Tetralins |
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| Alternative Parents | |
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| Substituents | - Tetralin
- Imidolactam
- 2-imidazoline
- Amidine
- Carboxylic acid amidine
- Carboximidamide
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organoheterocyclic compound
- Azacycle
- Organic nitrogen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Hydrochloride
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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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| LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-004r-0193400000-8d271e96e93dd7a1fd8d | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-0f89-4930000000-c7463ba501a012e45511 | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-0udi-0290000000-424ecf28966f77ec3b1d | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-0f89-4930000000-c7463ba501a012e45511 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0090000000-308b54f6dcc5357cede7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0090000000-308b54f6dcc5357cede7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-0090000000-308b54f6dcc5357cede7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-f079fea3c22dfb93c991 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-f079fea3c22dfb93c991 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0090000000-f079fea3c22dfb93c991 | 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 | DBSALT001254 |
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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 | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 10648 |
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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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