基本情報
- CAS
20123-80-2- 標準SMILES
O=S(=O)([O-])c1cc(O)ccc1O.O=S(=O)([O-])c1cc(O)ccc1O.[Ca+2]- InChIKey
QGNBTYAQAPLTMX-UHFFFAOYSA-L- 分子式
- C12H10CaO10S2
- 平均分子量
- 418.4 g/mol
- 単同位体質量
- 417.9341297
概要
A drug used to reduce hemorrhage in diabetic retinopathy.
名称と識別子
- 優先名称
- Calcium Dobesilate
- IUPAC
- calcium bis(2,5-dihydroxybenzenesulfonate)
- 現地名
- ドベシル酸カルシウム
- 英語名
- Calcium dobesilate
- 分子式
- 2C6H5O5S.Ca
- 分子量
- 418.41
名称と別名
CALCIUM DOBESILATE20123-80-2DexiumDobesilate calciumDoxiumDobesilate de calciumCalcii dobesilasBenzenesulfonic acid, 2,5-dihydroxy-, calcium salt (2:1)Hydroquinone calcium sulfonate205 Edobesilato de calcioCALCIUM DOXYBENSYLATE
名称をさらに表示
ドキシベニルビス(2,5-ジヒドロキシベンゼンスルホン酸)カルシウムヒドロキノンカルシウムスルホナートデキシウムカルシウムドベシラートドベシル酸カルシウムビス[2,5-ジヒドロキシベンゼンスルホン酸]カルシウムドキシウム[(2,5-ジヒドロキシベンゼンスルホニル)オキシ]カルシオ 2,5-ジヒドロキシベンゼン-1-スルホナートCalciumdobesilat5-benzenesulfonatecalcium dihydroxy-2QiangbenhuangsuangaiDobesilate calcium saltCALCIUMDOBESILATECAPSULE
205-E5921X1560QDTXSID60173946calcio dobesilatoCalcium, DobesilateDobesilate, CalciumDoxium 500RefChem:54622
データベース識別子
物性
構造計算による物性
- 極性表面積
- 212 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 10
- 回転可能結合数
- 0
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 228
物理化学的性質
- 融点
- 300 ° · >300° (dec)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 2 O: · H2O: 可溶15mg/mL、透明
- 外見
- 粉
- 色
- 白からベージュ
- 水溶解度
- 2 O: · H2O: 15mg/mL, clear
- 安定性
- 吸湿性
- 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 データベース
- 20123 · 20123-80-2(CAS DataBase Reference)
化学的性質
化学的特性White or almost white, hygroscopic powder.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- wgk
- 3
- 毒性
- LD50 in mice: 700 mg/kg (Esteve-Subirana)
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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.
用途と製造
UsesUse (kg; approx.) in Germany (2009): >1000
応用分野
説明Calcium 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.
使用Calcium 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.
Dobesilate calcium belongs to the family of fibroblast growth factor (FGF) inhibitors.
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