Echothiophate iodideProduct ingredient for Echothiophate

Name

Echothiophate iodide

Drug Entry

Echothiophate

A potent, long-acting irreversible cholinesterase inhibitor used as an ocular hypertensive in the treatment of glaucoma. Occasionally used for accomodative esotropia.

See full entry for Echothiophate

Accession Number

DBSALT001098

Structure

Similar Structures

Synonyms

Not Available

UNII

BA9QH3P00T

CAS Number

513-10-0

Weight

Average: 383.23
Monoisotopic: 383.0181

Chemical Formula

C₉H₂₃INO₃PS

InChI Key

OVXQHPWHMXOFRD-UHFFFAOYSA-M

InChI

InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1

IUPAC Name

diethyl {[2-(trimethylazaniumyl)ethyl]sulfanyl}phosphonate iodide

SMILES

[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C

External Links

ChemSpider: 10107
BindingDB: 50016940
ChEBI: 59849
ChEMBL: CHEMBL1200367
PharmGKB: PA164743139
Wikipedia: Echothiophate

Predicted Properties

Property	Value	Source
Water Solubility	0.0248 mg/mL	ALOGPS
logP	-1.8	ALOGPS
logP	-3.1	Chemaxon
logS	-4.2	ALOGPS
pKa (Strongest Basic)	-8.2	Chemaxon
Physiological Charge	1	Chemaxon
Hydrogen Acceptor Count	1	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	35.53 Å²	Chemaxon
Rotatable Bond Count	8	Chemaxon
Refractivity	78.14 m³·mol^-1	Chemaxon
Polarizability	27.45 Å³	Chemaxon
Number of Rings	0	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	Yes	Chemaxon
MDDR-like Rule	No	Chemaxon

Echothiophate iodideProduct ingredient for Echothiophate

Structure for Echothiophate iodide (DBSALT001098)