Dobesilic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Summary

Dobesilic acid is a medication indicated in the treatment of hemorrhoids, venous insufficiency, and other microangiopathies.

Generic Name
Dobesilic acid
DrugBank Accession Number
DB13529
Background

Not Available

Type
Small Molecule
Groups
Experimental, Investigational
Structure
Thumb
Weight
Average: 190.174
Monoisotopic: 189.993593992
Chemical Formula
C6H6O5S
Synonyms
Not Available

Pharmacology

Indication

Not Available

Pharmacology
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Associated Conditions
Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Adverseeffects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Calcium dobesilate5921X1560Q20123-80-2QGNBTYAQAPLTMX-UHFFFAOYSA-L
Calcium dobesilate monohydrateM0ROX9374L117552-78-0JMTQBGBMQZPWCS-UHFFFAOYSA-L

Categories

ATC Codes
C05BX01 — Calcium dobesilateC05BX51 — Calcium dobesilate, combinations
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonic acids and derivatives
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
Benzenesulfonyl compounds / 1-sulfo,2-unsubstituted aromatic compounds / Hydroquinones / 1-hydroxy-2-unsubstituted benzenoids / Sulfonyls / Organosulfonic acids / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
1-hydroxy-2-unsubstituted benzenoid / 1-sulfo,2-unsubstituted aromatic compound / Aromatic homomonocyclic compound / Arylsulfonic acid or derivatives / Benzenesulfonate / Benzenesulfonyl group / Hydrocarbon derivative / Hydroquinone / Organic oxide / Organic oxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
hydroquinones, dihydroxybenzenesulfonic acid (CHEBI:71157)
Affected organisms
Not Available

Chemical Identifiers

UNII
TO0PAT081I
CAS number
88-46-0
InChI Key
IKQCSJBQLWJEPU-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
IUPAC Name
2,5-dihydroxybenzene-1-sulfonic acid
SMILES
OC1=CC(=C(O)C=C1)S(O)(=O)=O

References

General References
  1. TITCK Product Information: Doxium (calcium dobesilate) oral capsules [Link]
ChemSpider
16554
RxNav
235935
ChEBI
71157
ChEMBL
CHEMBL1232131
ZINC
ZINC000001663856
PDBe Ligand
DBX
Wikipedia
Calcium_dobesilate
PDB Entries
3k1x / 5fsd

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentDiabetic Retinopathy (DR)1
4Not Yet RecruitingTreatmentDiabetic Retinopathy (DR)1
4Unknown StatusPreventionDiabetic Retinopathy (DR)1
4Unknown StatusTreatmentRenal Failure, Chronic Renal Failure1
3SuspendedTreatmentUlcers1
3Unknown StatusTreatmentHypermenorrhea1
2RecruitingTreatmentDiabetic Retinopathy (DR) / Type 2 Diabetes Mellitus1
2, 3CompletedPreventionInfertility2
2, 3CompletedTreatmentPulmonary Functions / Type 2 Diabetes Mellitus1
1CompletedTreatmentRosacea Subtype 1 (Erythematotelangiectatic)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule, coatedOral500 mg
Tablet, film coatedOral
CapsuleOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility17.4 mg/mLALOGPS
logP-0.9ALOGPS
logP1.2ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)-2.8ChemAxon
pKa (Strongest Basic)-6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity40.64 m3·mol-1ChemAxon
Polarizability15.98 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on June 23, 2017 20:43 / Updated on October 19, 2021 04:53