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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