Echothiophate
Also known as Ecothiopate, Ecothiopatum, Echothiophate ion
Key facts
What buyers check first
- CAS number
- 6736-03-4
- Formula
- C9H23NO3PS+
- Molar mass
- 256.33 g/mol
- HS code
- 293090
- Category
- Acid, base and phase-transfer catalysts
What is Echothiophate?
Plain description, key identifiers and synonyms
Ecothiopate is the 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. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor and a miotic. It is a quaternary ammonium ion, a member of phosphocholines and an organic thiophosphate.
Echothiophate is a pharmaceutical drug.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
- CAS number
- 6736-03-4
- Molecular formula
- C9H23NO3PS+
- UNII
- 0F350BVT6S
- InChIKey
- BJOLKYGKSZKIGU-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1
- SMILES (canonical and isomeric)
- CCOP(=O)(OCC)SCC[N+](C)(C)C
Synonyms
- Ecothiopate
- Ecothiopatum
- Echothiophate ion
- Ecothiopate cation
- Echothiophate cation
- AMMONIUM, (2-MERCAPTOETHYL)TRIMETHYL-, S-ESTER with O,O-DIETHYLPHOSPHOROTHIOATE
- (2-diethoxyphosphinylthioethyl)trimethylammonium
- (2-Mercaptoethyl)trimethylammonium S-ester with O,O'-diethylphosphorothioate
- Ethanaminium, 2-[(diethoxyphosphinyl)thio]-N,N,N-trimethyl-
- Ethanaminium, 2-((diethoxyphosphinyl)thio)-N,N,N-trimethyl-
- 2-((diethoxyphosphoryl)sulfanyl)-N,N,N-trimethylethanaminium
- 2-[(diethoxyphosphoryl)sulfanyl]-N,N,N-trimethylethanaminium
- 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
- 2-((diethoxyphosphoryl)thio)-N,N,N-trimethylethan-1-aminium
- diethyl {[2-(trimethylazaniumyl)ethyl]sulfanyl}phosphonate
- 2-(Diethoxyphosphorylsulfanyl)ethyl-N,N,N-trimethylazanium iodide
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 256.33 g/molcalc.Computed value |
|---|---|
| Exact mass | 256.1131 Dacalc.Computed value |
| LogP (octanol/water) | 2.61calc.Computed value |
| Topological polar surface area | 35.53 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 15calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 1calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Echothiophate suppliers
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Echothiophate price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- antiglaucoma drug
- enzyme inhibitor
- miotic
- neurotransmitter agent
- ophthalmology drug
- pharmaceutical
Pharmacology
Echothiophate is a Cholinesterase Inhibitor. The mechanism of action of echothiophate is as a Cholinesterase Inhibitor.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Echothiophate is traded under.
Organo-sulphur compounds, other
- China40.7%
- United States10.9%
- Japan9.3%
- United States13.3%
- Brazil12.6%
- China6.6%
The HS code shown for Echothiophate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Echothiophate, based on the data on this page
What is Echothiophate?
What is the CAS number of Echothiophate?
What is the molecular formula and weight of Echothiophate?
What is Echothiophate used for?
Is Echothiophate hazardous?
What is the HS code of Echothiophate?
Where can I buy Echothiophate?
What is the price of Echothiophate?
Guides for buyers
Practical guides that help when you source, ship or handle Echothiophate
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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