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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O4
Molecular Weight 154.1201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

OC(=O)C1=CC(O)=CC(O)=C1

InChI

InChIKey=UYEMGAFJOZZIFP-UHFFFAOYSA-N
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H6O4
Molecular Weight 154.1201
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Specific inhibition of a family 1A dihydroorotate dehydrogenase by benzoate pyrimidine analogues.
2001 Aug 30
Effects of mono-, di- and tri-hydroxybenzoic acids on the nitrosation of propranolol: structure-activity relationship.
2001 Jan 25
Lamellar organic thin films through self-assembly and molecular recognition.
2001 Jan 26
Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions.
2001 Jun
Novel sphingolipids from Conyza canadensis.
2002 Dec
Determination of terbutaline sulfate and its degradation products in pharmaceutical formulations using LC.
2002 Jul 31
Influence of amide linkages on acidity determinations of humic substances Testing with model-mixtures.
2004 Mar 10
Structural close-related aromatic compounds have different effects on laccase activity and on lcc gene expression in the ligninolytic fungus Trametes sp. I-62.
2004 Oct
Identification of cereal alkylresorcinol metabolites in human urine-potential biomarkers of wholegrain wheat and rye intake.
2004 Sep 25
Matrix-suppressed laser desorption/ionisation mass spectrometry and its suitability for metabolome analyses.
2006
Sodium cation affinities of MALDI matrices determined by guided ion beam tandem mass spectrometry: application to benzoic acid derivatives.
2006 Feb 2
A competitive molecular recognition study: syntheses and analysis of supramolecular assemblies of 3,5-dihydroxybenzoic acid and its bromo derivative with some N-donor compounds.
2006 Feb 8
Computational study of matrix-peptide interactions in MALDI mass spectrometry: Interactions of 2,5- and 3,5-dihydroxybenzoic acid with the tripeptide valine-proline-leucine.
2006 Mar 16
Potassium cation affinities of matrix assisted laser desorption ionization matrices determined by threshold collision-induced dissociation: application to benzoic acid derivatives.
2007 Aug 23
Quantification of alkylresorcinol metabolites in urine by HPLC with coulometric electrode array detection.
2007 Jul
Interaction of benzoate pyrimidine analogues with class 1A dihydroorotate dehydrogenase from Lactococcus lactis.
2007 May 15
A type I/type III polyketide synthase hybrid biosynthetic pathway for the structurally unique ansa compound kendomycin.
2008 Nov 3
Plasma alkylresorcinols and urinary alkylresorcinol metabolites as biomarkers of cereal fiber intake in Finnish women.
2008 Sep
Quantification of alkylresorcinol metabolites in plasma by high-performance liquid chromatography with coulometric electrode array detection.
2008 Sep 10
A xerogel-sequestered selenoxide catalyst for brominations with hydrogen peroxide and sodium bromide in an aqueous environment.
2008 Sep 5
Separation of five isomers of dihydroxybenzoic acid by high-speed counter-current chromatography with dual-rotation elution method.
2009 May-Jun
Inhibitive effects of alkyl gallates on hyaluronidase and collagenase.
2009 Oct
Ligand-induced conformational rearrangements promote interaction between the Escherichia coli enterobactin biosynthetic proteins EntE and EntB.
2009 Oct 30
Effects of natural organic matter model compounds on the transformation of carbon tetrachloride by chloride green rust.
2010 Apr
Electrophoretic deposition of TiO2 and composite TiO2-MnO2 films using benzoic acid and phenolic molecules as charging additives.
2010 Dec 15
Plasma alkylresorcinol metabolites as potential biomarkers of whole-grain wheat and rye cereal fibre intakes in women.
2010 Feb
Effect of position isomerism on the formation and physicochemical properties of pharmaceutical co-crystals.
2010 Jan
Nematicidal natural products from the aerial parts of Rubus niveus.
2010 Mar
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:36:42 GMT 2023
Edited
by admin
on Fri Dec 15 19:36:42 GMT 2023
Record UNII
2WC5LMO6L1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-DIHYDROXYBENZOIC ACID
Systematic Name English
NSC-22948
Code English
5-CARBOXYRESORCINOL
Systematic Name English
.ALPHA.-RESORCYLIC ACID
Common Name English
TERBUTALINE SULFATE IMPURITY A [EP IMPURITY]
Common Name English
BENZOIC ACID, 3,5-DIHYDROXY-
Common Name English
ALPHA-RESORCYLIC ACID
Common Name English
Code System Code Type Description
WIKIPEDIA
3,5-DIHYDROXYBENZOIC ACID
Created by admin on Fri Dec 15 19:36:42 GMT 2023 , Edited by admin on Fri Dec 15 19:36:42 GMT 2023
PRIMARY
CAS
99-10-5
Created by admin on Fri Dec 15 19:36:42 GMT 2023 , Edited by admin on Fri Dec 15 19:36:42 GMT 2023
PRIMARY
PUBCHEM
7424
Created by admin on Fri Dec 15 19:36:42 GMT 2023 , Edited by admin on Fri Dec 15 19:36:42 GMT 2023
PRIMARY
FDA UNII
2WC5LMO6L1
Created by admin on Fri Dec 15 19:36:42 GMT 2023 , Edited by admin on Fri Dec 15 19:36:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID8059184
Created by admin on Fri Dec 15 19:36:42 GMT 2023 , Edited by admin on Fri Dec 15 19:36:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-730-7
Created by admin on Fri Dec 15 19:36:42 GMT 2023 , Edited by admin on Fri Dec 15 19:36:42 GMT 2023
PRIMARY
CHEBI
39912
Created by admin on Fri Dec 15 19:36:42 GMT 2023 , Edited by admin on Fri Dec 15 19:36:42 GMT 2023
PRIMARY
NSC
22948
Created by admin on Fri Dec 15 19:36:42 GMT 2023 , Edited by admin on Fri Dec 15 19:36:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
sum of impurities other than C: not more than twice the area of the principal peak in the chromatogram obtained with reference solution (b) (0.4 per cent)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP