| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:44:14 UTC |
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| Update Date | 2016-11-09 01:13:46 UTC |
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| Accession Number | CHEM008340 |
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| Identification |
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| Common Name | Tetramethrin II |
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| Class | Small Molecule |
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| Description | Not Available |
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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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| (1,3-Dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)methyl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylic acid | Generator |
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| Chemical Formula | C20H25NO6 |
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| Average Molecular Mass | 375.421 g/mol |
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| Monoisotopic Mass | 375.168 g/mol |
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| CAS Registry Number | 999050-03-2 |
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| IUPAC Name | (1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)methyl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate |
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| Traditional Name | (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate |
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| SMILES | [H]\C(=C(\C)C(=O)OC)[C@]1([H])[C@@]([H])(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C |
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| InChI Identifier | InChI=1S/C20H25NO6/c1-11(18(24)26-4)9-14-15(20(14,2)3)19(25)27-10-21-16(22)12-7-5-6-8-13(12)17(21)23/h9,14-15H,5-8,10H2,1-4H3/b11-9+/t14-,15+/m1/s1 |
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| InChI Key | NUAZPPLSNSVAMJ-OVNLOREASA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Isoindoles and derivatives |
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| Sub Class | Isoindolines |
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| Direct Parent | Isoindolones |
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| Alternative Parents | |
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| Substituents | - Monoterpenoid
- Isoindolone
- Bicyclic monoterpenoid
- Isoindole
- Carbocyclic fatty acid
- Maleimide
- Fatty acid ester
- Fatty acyl
- Carboxylic acid imide, n-substituted
- Dicarboxylic acid or derivatives
- Cyclopropanecarboxylic acid or derivatives
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Methyl ester
- Pyrroline
- Dicarboximide
- Carboxylic acid imide
- Lactam
- Carboxylic acid ester
- Azacycle
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic 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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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0h00-0926000000-3b5f961f37f6b5e1fef3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0910000000-17eb69066516bd00592c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pb9-8900000000-6e7500cf3a47e970a9de | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0fk9-0947000000-6c37fa1883c714faaebe | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-1921000000-ebab49a5784fd4388186 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0kdi-4900000000-a6933bd3c2ab548fc71d | 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 | 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 | 101620719 |
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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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