Calcium Dobesilate
Basic information
- CAS
20123-80-2- Standard SMILES
O=S(=O)([O-])c1cc(O)ccc1O.O=S(=O)([O-])c1cc(O)ccc1O.[Ca+2]- InChIKey
QGNBTYAQAPLTMX-UHFFFAOYSA-L- Molecular formula
- C12H10CaO10S2
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 417.9341297
Overview
A drug used to reduce hemorrhage in diabetic retinopathy.
Names & identifiers
- Preferred name
- Calcium Dobesilate
- IUPAC
- calcium bis(2,5-dihydroxybenzenesulfonate)
- English name
- Calcium dobesilate
- Molecular formula
- 2C6H5O5S.Ca
- Molecular weight
- 418.41
Names & synonyms
CALCIUM DOBESILATE20123-80-2DexiumDobesilate calciumDoxiumDobesilate de calciumCalcii dobesilasBenzenesulfonic acid, 2,5-dihydroxy-, calcium salt (2:1)Hydroquinone calcium sulfonate205 Edobesilato de calcioCALCIUM DOXYBENSYLATE
Show more names
Calciumdobesilat5-benzenesulfonatecalcium dihydroxy-2QiangbenhuangsuangaiDobesilate calcium saltCALCIUMDOBESILATECAPSULE
205-E5921X1560QDTXSID60173946calcio dobesilatoCalcium, DobesilateDobesilate, CalciumDoxium 500RefChem:54622
Database identifiers
- CAS
20123-80-2- PubChem CID
- 29963
- DTXSID
DTXSID60173946- ChEMBL
CHEMBL2106191- UNII
- 5921X1560Q
- EC Number
- 243-531-5
Properties
Computed structural properties
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 300 ° · >300° (dec)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 2 O: · H2O: soluble15mg/mL, clear
- form
- powder
- color
- white to beige
- Water Solubility
- 2 O: · H2O: 15mg/mL, clear
- Stability
- Hygroscopic
- InChI
- InChI=1S/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2
- InChIKey
- QGNBTYAQAPLTMX-UHFFFAOYSA-L
- SMILES
- S([O-])(=O)(=O)C1=CC(=CC=C1O)O.S([O-])(=O)(=O)C1C=C(C=CC=1O)O.[Ca+2]
- CAS DataBase Reference
- 20123 · 20123-80-2(CAS DataBase Reference)
- FDA UNII
- 5921 X1560Q · 5921X1560Q
- ATC code
- 5 BX01,C05BX51 · C05BX01,C05BX51
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (2:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Safety data
- wgk
- 3
- Toxicity
- LD50 in mice: 700 mg/kg (Esteve-Subirana)
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Agents acting to arrest the flow of blood. Absorbable hemostatics arrest bleeding either by the formation of an artificial clot or by providing a mechanical matrix that facilitates clotting when applied directly to the bleeding surface. These agents function more at the capillary level and are not effective at stemming arterial or venous bleeding under any significant intravascular pressure.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >1000
Applications
DescriptionCalcium dobesilate is a vasoprotective. It is the calcium salt of dobesilic acid. It is a synthetic molecule with the ability to reduce capillary permeability in the body. In Switzerland the drug is sold by the pharmaceutical company OM Pharma under the trade name of Doxium in capsules containing 500 mg of active ingredient.Calcium dobesilate is indicated in states of fragility and altered capillary permeability, e.g. diabetic retinopathy, chronic venous disease and hemorrhoidal disease. In combination with lidocaine or with lidocaine and dexamethasone, the drug enters the composition of preparations for the therapy of hemorrhoidal disease. In association with potassium hydrodex-sulfate[citation needed] enters the composition of adjuvant gels in the treatment of varicose veins. The efficacy of calcium dobesilate has been described in patients with microangiopathies such as diabetic retinopathy and diabetic nephropathy.
UsesCalcium dobesilate is an antioxidant that has been used to treat diabetic retinopathy, in which it slows progression of the disease during long-term oral treatment by reducing microvascular permeability, leading to improved visual acuity. It not only acts as an antioxidant but also stimulates endothelial production of nitric oxide.
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Compound notes
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