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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4Cl2O3
Molecular Weight 207.011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-DICHLOROSALICYLIC ACID

SMILES

OC(=O)C1=CC(Cl)=CC(Cl)=C1O

InChI

InChIKey=CNJGWCQEGROXEE-UHFFFAOYSA-N
InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C7H4Cl2O3
Molecular Weight 207.011
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-based optimization and biological evaluation of human 20α-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors.
2010-11
Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase.
2009-02-01
Structure of aldehyde reductase in ternary complex with coenzyme and the potent 20alpha-hydroxysteroid dehydrogenase inhibitor 3,5-dichlorosalicylic acid: implications for inhibitor binding and selectivity.
2008-11-01
Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid.
2008-08-14
Identification of a cytochrome P450 cDNA (CYP98A5) from Phaseolus vulgaris, inducible by 3,5-dichlorosalicylic acid and 2,6-dichloro isonicotinic acid.
2007-04
Salicylic acid, an ambimobile molecule exhibiting a high ability to accumulate in the phloem.
2006-08
Salicylate activity. 3. Structure relationship to systemic acquired resistance.
2005-12-14
Guest-controlling effects on ER behaviors of beta-cyclodextrin polymer.
2005-09-01
Biochemical and molecular characterization of a ring fission dioxygenase with the ability to oxidize (substituted) salicylate(s) from Pseudaminobacter salicylatoxidans.
2004-09-03
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:23:18 GMT 2025
Edited
by admin
on Mon Mar 31 22:23:18 GMT 2025
Record UNII
O6PXR32G3V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-DICHLOROSALICYLIC ACID
Systematic Name English
NSC-30109
Preferred Name English
3,5-DICHLOROSALICYCLIC ACID
Common Name English
3,5-DICHLORO-2-HYDROXYBENZOIC ACID
Systematic Name English
SALICYLIC ACID, 3,5-DICHLORO-
Systematic Name English
BENZOIC ACID, 3,5-DICHLORO-2-HYDROXY-
Systematic Name English
2-HYDROXY-3,5-DICHLOROBENZOIC ACID [HSDB]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
206-281-8
Created by admin on Mon Mar 31 22:23:19 GMT 2025 , Edited by admin on Mon Mar 31 22:23:19 GMT 2025
PRIMARY
HSDB
5562
Created by admin on Mon Mar 31 22:23:19 GMT 2025 , Edited by admin on Mon Mar 31 22:23:19 GMT 2025
PRIMARY
FDA UNII
O6PXR32G3V
Created by admin on Mon Mar 31 22:23:19 GMT 2025 , Edited by admin on Mon Mar 31 22:23:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID3044914
Created by admin on Mon Mar 31 22:23:19 GMT 2025 , Edited by admin on Mon Mar 31 22:23:19 GMT 2025
PRIMARY
PUBCHEM
9445
Created by admin on Mon Mar 31 22:23:19 GMT 2025 , Edited by admin on Mon Mar 31 22:23:19 GMT 2025
PRIMARY
CAS
320-72-9
Created by admin on Mon Mar 31 22:23:19 GMT 2025 , Edited by admin on Mon Mar 31 22:23:19 GMT 2025
PRIMARY
NSC
30109
Created by admin on Mon Mar 31 22:23:19 GMT 2025 , Edited by admin on Mon Mar 31 22:23:19 GMT 2025
PRIMARY