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Details

Stereochemistry MIXED
Molecular Formula C10H19O6PS2
Molecular Weight 330.358
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMALATHION

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C10H19O6PS2
Molecular Weight 330.358
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P23795
Gene ID: 540446.0
Gene Symbol: ACHE
Target Organism: Bos taurus (Bovine)
7.2 µM [Ki]
PubMed

PubMed

TitleDatePubMed
Interaction of acetylcholinesterase with the enantiomers of malaoxon and isomalathion.
1993 Sep-Oct
Kinetic evidence for different mechanisms of acetylcholinesterase inhibition by (1R)- and (1S)-stereoisomers of isomalathion.
1999 Feb 15
Probing the active sites of butyrylcholinesterase and cholesterol esterase with isomalathion: conserved stereoselective inactivation of serine hydrolases structurally related to acetylcholinesterase.
2001 Jul
Inhibition of AChE by malathion and some structurally similar compounds.
2008 Aug
Effects of cyclodextrin on the stereoselectivity inhibition of acetylcholinesterase by isomalathion.
2018
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:59:57 UTC 2023
Edited
by admin
on Sat Dec 16 00:59:57 UTC 2023
Record UNII
9XEP5P83AO
Record Status Validated (UNII)
Record Version
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Name Type Language
ISOMALATHION
USP-RS  
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
8063HC
Code 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
Created by admin on Sat Dec 16 00:59:58 UTC 2023 , Edited by admin on Sat Dec 16 00:59:58 UTC 2023
PRIMARY
RS_ITEM_NUM
1349604
Created by admin on Sat Dec 16 00:59:58 UTC 2023 , Edited by admin on Sat Dec 16 00:59:58 UTC 2023
PRIMARY
CAS
3344-12-5
Created by admin on Sat Dec 16 00:59:58 UTC 2023 , Edited by admin on Sat Dec 16 00:59:58 UTC 2023
PRIMARY
MESH
C018326
Created by admin on Sat Dec 16 00:59:58 UTC 2023 , Edited by admin on Sat Dec 16 00:59:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID9058363
Created by admin on Sat Dec 16 00:59:58 UTC 2023 , Edited by admin on Sat Dec 16 00:59:58 UTC 2023
PRIMARY
PUBCHEM
91529
Created by admin on Sat Dec 16 00:59:58 UTC 2023 , Edited by admin on Sat Dec 16 00:59:58 UTC 2023
PRIMARY
WIKIPEDIA
ISOMALATHION
Created by admin on Sat Dec 16 00:59:58 UTC 2023 , Edited by admin on Sat Dec 16 00:59:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP