U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H14O3
Molecular Weight 230.2592
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALONE

SMILES

CC(C)CC(=O)C1C(=O)C2=C(C=CC=C2)C1=O

InChI

InChIKey=PVWMAOPFDINGAY-UHFFFAOYSA-N
InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H14O3
Molecular Weight 230.2592
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:16:54 GMT 2025
Edited
by admin
on Mon Mar 31 19:16:54 GMT 2025
Record UNII
2V8VCY004E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-404427
Preferred Name English
VALONE
HSDB  
Common Name English
VALONE [HSDB]
Common Name English
2-ISOVALERYL-1,3-INDANEDIONE
Systematic Name English
2-ISOVALERYL-1,3-INDANDIONE
Systematic Name English
2-(3-METHYL-1-OXOBUTYL)-1H-INDENE-1,3(2H)-DIONE
Systematic Name English
2-ISOVALERYLINDANE-1,3-DIONE [MI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 67702
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
Code System Code Type Description
MERCK INDEX
m6549
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY Merck Index
CAS
145470-90-2
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
ALTERNATIVE
EPA CompTox
DTXSID8042509
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
CAS
83-28-3
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
FDA UNII
2V8VCY004E
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
MESH
C540723
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
PUBCHEM
6733
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
HSDB
7118
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
NSC
404427
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
ALANWOOD
valone
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-464-9
Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT