基本情報
- CAS
69049-74-7- 標準SMILES
CCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+].[Na+]- InChIKey
JQEKDNLKIVGXAU-UHFFFAOYSA-L- 分子式
- C19H15NNa2O7
- 平均分子量
- 415.3 g/mol
- 単同位体質量
- 415.06439038
名称と識別子
- 優先名称
- Nedocromil Sodium
- IUPAC
- disodium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate
- 現地名
- ネドクロミルナトリウム
- 英語名
- NEDOCROMIL SODIUM
- 分子式
- C19H18NNaO7
- 分子量
- 395.34
名称と別名
名称をさらに表示
データベース識別子
- CAS
69049-74-7- PubChem CID
- 50295
- DTXSID
DTXSID00219115- ChEMBL
CHEMBL915- ChEBI
CHEBI:7493- UNII
- ET8IF4KS1T
- EC Number
- 620-501-3
- Nikkaji
- J357.902F
物性
構造計算による物性
- 極性表面積
- 127 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 742
物理化学的性質
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 溶解性
- 2 O: · H2O: 可溶20mg/mL、透明
- 外見
- 粉
- 色
- 、白からベージュ、茶色
- 水溶解度
- 2 O: · H2O: 20mg/mL, clear
- InChI
- 1S/C19H17NO7.2Na/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2
- InChIKey
- JQEKDNLKIVGXAU-UHFFFAOYSA-L
- SMILES
- [Na+].[Na+].[n]1(c2c([c](cc1C(=O)[O-])=O)cc3c([o]c(c[c]3=O)C(=O)[O-])c2CCC)CC
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.;There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Other Safety Information
IMAP assessments - 4H-Pyrano[3,2-g]quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, disodium salt: Human health tier I assessment;IMAP assessments - 4H-Pyrano[3,2-g]quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, disodium salt: Environment tier I assessment
安全データ
- wgk
- 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
Compounds that prevent the release of inflammatory mediators from MAST CELLS.
Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)
Drugs that are used to treat asthma.
応用分野
説明Nedocromil sodium is an antiallergic agent with broader mast cell stabilizing properties than related cromolyn sodium. Administered as an aerosol, it is useful in the treatment of bronchial asthma and related diseases.
使用Nedocromil Sodium (Technical Grade) is a medication considered as mast cell stabilizer which act to prevent wheezing, shortness of breath, and other breathing problems caused by asthma.
一般的な説明Nedocromil sodium, disodium9-ethyl-6, 9-dihydro-4,6-dioxo-10-propyl-4H-pyrano[3, 2-g]quinoline-2,8-dicarboxylate (Tilade), is structurally relatedto cromolyn and displays similar, but broader, pharmacologicalactions. It was available as an aerosol in ametered-dose inhaler for asthma treatment, and currently remainsavailable as ophthalmic solution for the treatmentof itching associated with allergic conjunctivitis. The inhalationformulation was marketed for maintenance therapyin the management of patients with mild-to-moderatebronchial asthma, but since has been withdrawn.
上流・下流製品情報
上流原料
サプライヤー30 社
関連反応
化合物ノート
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