This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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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
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Adjunct therapy in management of Circulatory disorders •••••••••••• Adjunct therapy in management of Hemorrhoids •••••••••••• Management of Venous insufficiency •••••••••••• ••••••••••••••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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. View sample adverse effects data in our new Data Library!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
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Unknown Status Not Available Biological Availability / Coronavirus Disease 2019 (COVID‑19) 1 somestatus stop reason just information to hide 4 Completed Treatment Diabetic Angiopathies / Type 2 Diabetes Mellitus 1 somestatus stop reason just information to hide 4 Completed Treatment Diabetic Retinopathy (DR) 1 somestatus stop reason just information to hide 4 Unknown Status Prevention Diabetic Retinopathy (DR) 1 somestatus stop reason just information to hide 4 Unknown Status Treatment Diabetic Retinopathy (DR) 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Ointment Topical Capsule Oral Capsule, coated Oral 500 mg Capsule, coated Oral 50000000 mg Tablet, film coated Oral Tablet, film coated Oral 1000 mg Capsule Oral 500 mg Tablet 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 splash10-0c09-3900000000-238b1d5b23ad38ea68a2 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0900000000-5939b5aacab56771f00f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-1900000000-96f4cf7931677b952cb6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-06rx-5900000000-c7c1d45b2964611fd514 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-3900000000-0d837dd78aef081b82ec Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-9100000000-133409e2356575943c5d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-003r-9000000000-ac21b11aef6e77650b55 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 132.55394 predictedDeepCCS 1.0 (2019) [M+H]+ 136.3813 predictedDeepCCS 1.0 (2019) [M+Na]+ 145.6607 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:43 / Updated at October 14, 2024 05:22