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
Structure for Dobesilic acid (DB13529)
- Weight
- Average: 190.174
Monoisotopic: 189.993593992 - Chemical Formula
- C6H6O5S
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Calcium dobesilate 5921X1560Q 20123-80-2 QGNBTYAQAPLTMX-UHFFFAOYSA-L Calcium dobesilate monohydrate M0ROX9374L 117552-78-0 JMTQBGBMQZPWCS-UHFFFAOYSA-L
Categories
- ATC Codes
- C05BX01 — Calcium dobesilate
- C05BX — Other sclerosing agents
- C05B — ANTIVARICOSE THERAPY
- C05 — VASOPROTECTIVES
- C — CARDIOVASCULAR SYSTEM
- 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
- TITCK Product Information: Doxium (calcium dobesilate) oral capsules [Link]
- External Links
- ChemSpider
- 16554
- 235935
- ChEBI
- 71157
- ChEMBL
- CHEMBL1232131
- ZINC
- ZINC000001663856
- PDBe Ligand
- DBX
- Wikipedia
- Calcium_dobesilate
- PDB Entries
- 3k1x / 5fsd
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Diabetic Retinopathy (DR) 1 4 Recruiting Treatment Diabetic Angiopathies / Type 2 Diabetes Mellitus 1 4 Unknown Status Prevention Diabetic Retinopathy (DR) 1 4 Unknown Status Treatment Diabetic Retinopathy (DR) 1 4 Unknown Status Treatment Renal Failure, Chronic Renal Failure 1 3 Suspended Treatment Ulcers 1 3 Unknown Status Treatment Hypermenorrhea 1 2 Active Not Recruiting Treatment Diabetic Retinopathy (DR) / Type 2 Diabetes Mellitus 1 2 Not Yet Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) 1 2, 3 Completed Prevention Infertility 2
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Oral 500 mg Capsule, coated Oral 500 mg Tablet, film coated Oral Tablet, film coated Oral 1000 mg Capsule Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 17.4 mg/mL ALOGPS logP -0.9 ALOGPS logP 1.2 Chemaxon logS -1 ALOGPS pKa (Strongest Acidic) -2.8 Chemaxon pKa (Strongest Basic) -6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 94.83 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 40.64 m3·mol-1 Chemaxon Polarizability 15.98 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at June 23, 2017 20:43 / Updated at June 05, 2023 04:57