| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:30:31 UTC |
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| Update Date | 2016-11-09 01:09:15 UTC |
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| Accession Number | CHEM003956 |
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| Identification |
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| Common Name | Carbachol chloride |
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| Class | Small Molecule |
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| Description | Carbachol is only found in individuals that have used or taken this drug. It is a slowly hydrolyzed cholinergic agonist that acts at both muscarinic and nicotinic receptors. Carbachol is a parasympathomimetic that stimulates both muscarinic and nicotinic receptors. In topical ocular and intraocular administration its principal effects are miosis and increased aqueous humour outflow. |
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| Contaminant Sources | - Clean Air Act Chemicals
- HMDB Contaminants - Urine
- STOFF IDENT Compounds
- 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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| Miostat | HMDB | | Carbastat | HMDB | | Carbocholine | MeSH | | Carboptic | MeSH | | Carbamoylcholine | MeSH | | Carbachol, isopto | MeSH | | Isopto carbachol | MeSH | | Carbacholine | MeSH | | Carbamann | MeSH | | Jestryl | MeSH | | Doryl | MeSH | | Carbachol | ChEMBL, MeSH | | Carbamylcholine | MeSH |
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| Chemical Formula | C6H15ClN2O2 |
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| Average Molecular Mass | 182.649 g/mol |
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| Monoisotopic Mass | 182.082 g/mol |
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| CAS Registry Number | 51-83-2 |
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| IUPAC Name | 2-(trimethylazaniumyl)ethyl carbamate |
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| Traditional Name | lentine |
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| SMILES | [Cl-].C[N+](C)(C)CCOC(N)=O |
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| InChI Identifier | InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H |
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| InChI Key | AIXAANGOTKPUOY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as carbamate esters. Carbamate esters are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Carbamate esters |
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| Alternative Parents | |
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| Substituents | - Quaternary ammonium salt
- Carbamic acid ester
- Tetraalkylammonium salt
- Carbonic acid derivative
- Amine
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organic cation
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | |
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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 | HMDB0014555 |
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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 | Carbachol |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 2551 |
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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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