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CHEBI:4753 - ecothiopate

Default Structure
ChEBI IDCHEBI:4753
ChEBI Nameecothiopate
Stars
DefinitionThe phosphorothioate obtained by formal condensation of diethyl phosphate with N,N,N-trimethyl-2-sulfanylethanaminium. An irreversible acetylcholinesterase inhibitor, its iodide salt is used an ocular antihypertensive in the treatment of open-angle glaucoma, particularly when other drugs have proved inadequate.
Last Modified22 February 2017
DownloadsMolfile
FormulaC9H23NO3PS
Net Charge+1
Average Mass256.328
Monoisotopic Mass256.11308
SMILESCCOP(=O)(OCC)SCC[N+](C)(C)C
InChIInChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1
InChIKeyBJOLKYGKSZKIGU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
miotic  An agent causing contraction of the pupil of the eye. Because the size of the pupil is under the antagonistic control of the sympathetic and parasympathetic systems, drugs affecting either system can cause miosis. Drugs that mimic or potentiate the parasympathetic input to the circular constrictor muscle and drugs that inhibit sympathetic input to the radial dilator muscle tend to contract the pupils.
Application:
miotic  An agent causing contraction of the pupil of the eye. Because the size of the pupil is under the antagonistic control of the sympathetic and parasympathetic systems, drugs affecting either system can cause miosis. Drugs that mimic or potentiate the parasympathetic input to the circular constrictor muscle and drugs that inhibit sympathetic input to the radial dilator muscle tend to contract the pupils.
ChEBI Ontology
Outgoing Relation(s)
ecothiopate (CHEBI:4753) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
ecothiopate (CHEBI:4753) has role miotic (CHEBI:51068)
ecothiopate (CHEBI:4753) is a organic thiophosphate (CHEBI:37512)
ecothiopate (CHEBI:4753) is a phosphocholines (CHEBI:36700)
ecothiopate (CHEBI:4753) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
ecothiopate iodide (CHEBI:59849) has part ecothiopate (CHEBI:4753)
IUPAC Name 
2-[(diethoxyphosphoryl)sulfanyl]-N,N,N-trimethylethanaminium
INNs  Source
ecothiopateChEBI
ecothiopatumChEBI
Synonyms  Source
(2-diethoxyphosphinylthioethyl)trimethylammoniumChEBI
EchothiophateKEGG COMPOUND
Manual XrefsDatabases
982DrugCentral
C06975KEGG COMPOUND
DB01057DrugBank
EchothiophateWikipedia
Registry NumbersSources
Beilstein:1794025Beilstein
CAS:6736-03-4KEGG COMPOUND
CAS:6736-03-4ChemIDplus