| Record Information |
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| Version | 1.0 |
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| Creation Date | 2013-04-25 07:56:53 UTC |
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| Update Date | 2016-11-09 01:08:59 UTC |
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| Accession Number | CHEM002846 |
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| Identification |
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| Common Name | MGK |
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| Class | Small Molecule |
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| Description | N-Octyl bicycloheptene dicarboximide (MGK 264) is an ingredient in some common pesticides. It has no intrinsic pesticidal activity itself, but rather is a synergist enhancing the potency of pyrethroid ingredients. It is used in a variety of household and veterinary products |
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| Contaminant Sources | - EPA Endocrine Screening
- STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Amide
- Amine
- Household Toxin
- Organic Compound
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| N-Octylbicycloheptene dicarboximide | Kegg | | MGK-264 | HMDB | | MGK 264 | HMDB | | N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboxamide | HMDB | | Ethylhexylbicycloheptene dicarboximide | HMDB |
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| Chemical Formula | C17H25NO2 |
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| Average Molecular Mass | 275.386 g/mol |
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| Monoisotopic Mass | 275.189 g/mol |
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| CAS Registry Number | 113-48-4 |
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| IUPAC Name | 4-(2-ethylhexyl)-4-azatricyclo[5.2.1.0²,⁶]dec-8-ene-3,5-dione |
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| Traditional Name | 4-(2-ethylhexyl)-4-azatricyclo[5.2.1.0²,⁶]dec-8-ene-3,5-dione |
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| SMILES | CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O |
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| InChI Identifier | InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3 |
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| InChI Key | WLLGXSLBOPFWQV-UHFFFAOYSA-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 | - Isoindolone
- Carboxylic acid imide, n-substituted
- Pyrrolidone
- 2-pyrrolidone
- N-alkylpyrrolidine
- Carboxylic acid imide
- Dicarboximide
- Pyrrolidine
- Lactam
- Carboxylic acid derivative
- Azacycle
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Exogenous |
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| Cellular Locations | |
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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 | Solid |
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| Appearance | White powder. |
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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 GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0694-9440000000-40454705bcde83d5fda4 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-1490000000-95e5dd3401ddf362ec17 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01tc-6490000000-6c6aae6faad89269ac6b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9100000000-21da35f03c4473badc52 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0229-0690000000-9b7810dfc603ba0831a7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-1930000000-3c0254e457a0bf1672a7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03dv-9700000000-8aa1972a3ea8b0afb560 | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-03xr-9510000000-d0247447731c32abc9a3 | 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) | No indication of carcinogenicity to humans (not listed by IARC). |
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| Uses/Sources | It is used in a variety of household and veterinary products. |
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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 | HMDB0256988 |
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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 | Machine Gun Kelly (musician) |
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| Chemspider ID | 7934 |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 8227 |
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| Kegg Compound ID | C18795 |
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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 | |
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