ISOMALATHION

CCOC(=O)CC(SP(=O)(OC)SC)C(=O)OCC

InChIKey=LPQDGVLVYVULMX-UHFFFAOYSA-N

InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(13,14-3)18-4/h8H,5-7H2,1-4H3

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Targets

Primary Target	Pharmacology	Condition	Potency
Acetylcholinesterase 209 Target ID: P23795 Gene ID: 540446.0 Gene Symbol: ACHE Target Organism: Bos taurus (Bovine) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18608787	Inhibitor 8504		7.2 µM [Ki]

PubMed

Title	Date	PubMed
Effects of cyclodextrin on the stereoselectivity inhibition of acetylcholinesterase by isomalathion.	2018	29842826
Inhibition of AChE by malathion and some structurally similar compounds.	2008-08	18608787
Probing the active sites of butyrylcholinesterase and cholesterol esterase with isomalathion: conserved stereoselective inactivation of serine hydrolases structurally related to acetylcholinesterase.	2001-07	11453726
Kinetic evidence for different mechanisms of acetylcholinesterase inhibition by (1R)- and (1S)-stereoisomers of isomalathion.	1999-02-15	10036217
Interaction of acetylcholinesterase with the enantiomers of malaoxon and isomalathion.	1993-09-01	8292752

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:41:59 GMT 2025` Edited by `admin` on `Mon Mar 31 20:41:59 GMT 2025`
Record UNII	9XEP5P83AO
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

8063HC

Preferred Name

English

ISOMALATHION

Common Name

English

ISOMALATHION [USP-RS]

Common Name

English

(METHOXY(METHYLTHIO)PHOSPHINOTHIOYL)BUTANEDIOIC ACID DIETHYL ESTER

Systematic Name

English

ISOMALATHION [EP IMPURITY]

Common Name

English

BUTANEDIOIC ACID, ((METHOXY(METHYLTHIO)PHOSPHINOTHIOYL)THIO)DIETHYL ESTER

Common Name

English

MALATHION IMPURITY A [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

9XEP5P83AO