| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:30:08 UTC |
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| Update Date | 2016-11-09 01:15:51 UTC |
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| Accession Number | CHEM018746 |
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| Identification |
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| Common Name | Trimethidinium methyl sulfate |
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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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| 1,3,8,8-Tetramethyl-3-[3-(trimethylazaniumyl)propyl]-3-azabicyclo[3.2.1]octan-3-ium dimethyl sulfuric acid | Generator | | 1,3,8,8-Tetramethyl-3-[3-(trimethylazaniumyl)propyl]-3-azabicyclo[3.2.1]octan-3-ium dimethyl sulphate | Generator | | 1,3,8,8-Tetramethyl-3-[3-(trimethylazaniumyl)propyl]-3-azabicyclo[3.2.1]octan-3-ium dimethyl sulphuric acid | Generator | | Methocamphone methylsulfate | ChEMBL | | Trimethidinium methosulphate | ChEMBL | | Methocamphone methylsulfuric acid | Generator | | Methocamphone methylsulphate | Generator | | Methocamphone methylsulphuric acid | Generator | | Methyl sulfuric acid;trimethyl-[3-(3,5,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octan-3-yl)propyl]azanium | Generator | | Methyl sulphate;trimethyl-[3-(3,5,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octan-3-yl)propyl]azanium | Generator | | Methyl sulphuric acid;trimethyl-[3-(3,5,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octan-3-yl)propyl]azanium | Generator | | Trimethidinium methosulfate | Generator | | Trimethidinium methosulfuric acid | Generator | | Trimethidinium methosulphuric acid | Generator | | Camphidonium | MeSH |
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| Chemical Formula | C19H42N2O8S2 |
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| Average Molecular Mass | 490.670 g/mol |
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| Monoisotopic Mass | 490.238 g/mol |
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| CAS Registry Number | 14149-43-0 |
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| IUPAC Name | 1,3,8,8-tetramethyl-3-[3-(trimethylazaniumyl)propyl]-3-azabicyclo[3.2.1]octan-3-ium dimethyl sulfate |
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| Traditional Name | 1,3,8,8-tetramethyl-3-[3-(trimethylammonio)propyl]-3-azabicyclo[3.2.1]octan-3-ium bis(methyl sulfate(1-)) |
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| SMILES | COS([O-])(=O)=O.COS([O-])(=O)=O.CC1(C)C2CCC1(C)C[N+](C)(CCC[N+](C)(C)C)C2 |
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| InChI Identifier | InChI=1S/C17H36N2.2CH4O4S/c1-16(2)15-9-10-17(16,3)14-19(7,13-15)12-8-11-18(4,5)6;2*1-5-6(2,3)4/h15H,8-14H2,1-7H3;2*1H3,(H,2,3,4)/q+2;;/p-2 |
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| InChI Key | ZOSQTCOGKFRDET-UHFFFAOYSA-L |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azepanes |
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| Sub Class | Not Available |
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| Direct Parent | Azepanes |
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| Alternative Parents | |
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| Substituents | - Azepane
- Piperidine
- Sulfuric acid monoester
- Sulfate-ester
- Alkyl sulfate
- Sulfuric acid ester
- Organic sulfuric acid or derivatives
- Quaternary ammonium salt
- Tetraalkylammonium salt
- Azacycle
- Organic nitrogen compound
- Organic oxide
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic salt
- Aliphatic heteropolycyclic 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 | Not Available |
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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 | 26483 |
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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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