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Details

Stereochemistry ACHIRAL
Molecular Formula C14H13O3.Na
Molecular Weight 252.241
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOVALERYL-1,3-INDANDIONE SODIUM

SMILES

[Na+].CC(C)CC(=O)[C-]1C(=O)C2=C(C=CC=C2)C1=O

InChI

InChIKey=JDEQRQRWTQHCFH-UHFFFAOYSA-N
InChI=1S/C14H13O3.Na/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17;/h3-6,8H,7H2,1-2H3;/q-1;+1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
[Rapid qualitative analysis of indandione rodenticides by high-performance liquid chromatography coupled with ion trap mass spectrometry].
2010-09
Does the cortisol response to stress mediate the link between expressed emotion and oppositional behavior in Attention-Deficit/Hyperactivity-Disorder (ADHD)?
2010-07-15
Simultaneous measurement of indandione-type rodenticides in human serum by liquid chromatography-electrospray ionization- tandem mass spectrometry.
2009-08-06
An assay for identification and determination of toxic rodenticide valone in serum by ion chromatography-electrospray ionization tandem mass spectrometry with ion trap detector.
2009-04-15
Rapid identification and determination of the rodenticide valone in serum by high-performance liquid chromatography-tandem mass spectrometry.
2009-03
Analysis of indandione anticoagulant rodenticides in animal liver by eluent generator reagent free ion chromatography coupled with electrospray mass spectrometry.
2008-12-05
Whole-cell cancer vaccination: from autologous to allogeneic tumor- and dendritic cell-based vaccines.
2008-10
When to use social information: the advantage of large group size in individual decision making.
2007-04-22
Perceptual organization in first episode schizophrenia and ultra-high-risk states.
2006-03
Effects of social and physical enrichment on open field activity differ in male and female Sprague-Dawley rats.
2005-12-07
Patents

Patents

Name Type Language
2-ISOVALERYL-1,3-INDANDIONE SODIUM
Systematic Name English
1H-INDENE-1,3(2H)-DIONE, 2-(3-METHYL-1-OXOBUTYL)-, ION(1-), SODIUM
Preferred Name English
SODIUM;2-(3-METHYLBUTANOYL)INDEN-2-IDE-1,3-DIONE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 67709
Created by admin on Mon Mar 31 22:50:48 GMT 2025 , Edited by admin on Mon Mar 31 22:50:48 GMT 2025
Code System Code Type Description
PUBCHEM
138394096
Created by admin on Mon Mar 31 22:50:48 GMT 2025 , Edited by admin on Mon Mar 31 22:50:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID7058416
Created by admin on Mon Mar 31 22:50:48 GMT 2025 , Edited by admin on Mon Mar 31 22:50:48 GMT 2025
PRIMARY
CAS
53404-57-2
Created by admin on Mon Mar 31 22:50:48 GMT 2025 , Edited by admin on Mon Mar 31 22:50:48 GMT 2025
PRIMARY
FDA UNII
XT2J2S8ULS
Created by admin on Mon Mar 31 22:50:48 GMT 2025 , Edited by admin on Mon Mar 31 22:50:48 GMT 2025
PRIMARY