基本情報
- CAS
15826-37-6- 標準SMILES
O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]- InChIKey
VLARUOGDXDTHEH-UHFFFAOYSA-L- 分子式
- C23H14Na2O11
- 平均分子量
- 512.3 g/mol
- 単同位体質量
- 512.03314982
概要
Disodium cromoglycate is an organic sodium salt that is the disodium salt of cromoglycic acid. It has a role as an anti-asthmatic drug and a drug allergen. It contains a cromoglycate(2-).
名称と識別子
- 優先名称
- Disodium Cromoglycate
- IUPAC
- disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
- 現地名
- クロモグリク酸ナトリウム
- 英語名
- Cromolyn Disodium Salt
- 分子式
- C23H17NaO11
- 分子量
- 492.37
名称と別名
CROMOLYN SODIUM15826-37-6Sodium cromoglycateDisodium cromoglycatesodium cromoglicateSodium cromolynGastrocromCromolyn disodium saltCromopticCrolomNatrii cromoglicasCromoglycate disodium
名称をさらに表示
ナルクロムシズレミンプレントクールウェイクロモグリカートリノジェットインタールAクロモグリク酸ナトリウム5,5'-(2-ヒドロキシプロパン-1,3-ジイルビスオキシ)ビス(4-オキソ-4H-1-ベンゾピラン-2-カルボン酸ナトリウム)オフタルギー5,5'-[(2-ヒドロキシ-1,3-プロパンジイル)ビス(オキシ)]ビス[4-オキソ-4H-1-ベンゾピラン-2-カルボン酸ナトリウム]クリードインタールUDナトリウムクロモリンインタール5,5'-[(2-ヒドロキシ-1,3-プロパンジイル)ビスオキシ]ビス[4-オキソ-4H-1-ベンゾピラン-2-カルボン酸]ジナトリウムミタヤククロモリーククロモフェロンクロモリンナトリウムCromoglycatenatriumcromoglicatCromoglycate Sodiumintal
物性
構造計算による物性
- 極性表面積
- 172 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 11
- 回転可能結合数
- 6
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 824
実験および物理化学的性質
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Allergic Agents; Anti-Asthmatic Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section205.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 241 · 241-2420C (dec)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 水に溶け、エタノールにはほとんど溶けません (96%)。
- 外見
- Solid
- 色
- ホワイトからオフホワイト
- 水溶解度
- 100 mg/mlまで水に溶ける · 100mg/mlまで水に溶ける
- Merck
- 14 · 14,2590
- 安定性
- 吸湿性
- 化粧品成分の機能
- 皮脂抑制
- InChIKey
- VLARUOGDXDTHEH-UHFFFAOYSA-L
- SMILES
- O(C1C=CC=C2OC(C(=O)O)=CC(=O)C=12)CC(O)COC1C=CC=C2OC(C(=O)O)=CC(=O)C=12.[NaH]
- CAS データベース
- 15826 · 15826-37-6(CAS DataBase Reference)
化学的性質
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 2% (2 of 98) of reports.
Warning
H315 (96.9%): Causes skin irritation [Warning Skin corrosion/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 98 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Other Safety InformationIMAP assessments - 4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, disodium salt: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (96.9%)
毒性情報
Adverse Effects
The frequency of adverse events in patients using cromolyn sodium remains unclear. Adverse events also vary depending on the administration route. The ophthalmic solution is associated with transient eye burning upon administration, and eye dryness, puffiness, irritation, itchiness, rash, and styes may be seen. Adverse events reported with the cromolyn sodium nasal spray were nasal congestion, sneezing, nasal itching, nosebleeds, rhinoconjunctivitis, and headaches. Adverse events reported with the inhalation solution were throat irritation and hoarseness, esophagitis, laryngeal and pharyngeal edema, drowsiness, dizziness, bronchial irritation, pulmonary infiltrates, and cough.
Toxicity Summary
Cromolyn sodium is poorly absorbed and is low in toxicity. No severe toxicity reactions have been reported, and a specific toxic dose has not been established. Research verifying the efficacy or safety of cromolyn sodium is insufficient regarding use in pediatric patients younger than 2 years. However, acute life-threatening reactions have been reported.
化学と産業
薬理情報
FDA Pharmacological Classification
CROMOLYN SODIUM
Decreased Histamine Release [PE]; Mast Cell Stabilizer [EPC]
CROMOLYN SODIUM INHALATION SOLUTION
Mast Cell Stabilizer [EPC]; Decreased Histamine Release [PE]
CROMOLYN SODIUM ORAL SOLUTION (CONCENTRATE)
Decreased Histamine Release [PE]; Mast Cell Stabilizer [EPC]
MeSH Pharmacological Classification
Compounds that prevent the release of inflammatory mediators from MAST CELLS.
Drugs that are used to treat asthma.
応用分野
用途ケミカルメディエーター遊離 抑制作用を有します。
用途ケミカルメディエーター遊離 抑制作用を有します。
使用Chromone complex which blocks mast cell degranulation
一般的な説明Cromolyn sodium, disodium 1,3-bis(2-carboxychromon-5-yloxy)-2-hydroxypropane (Intal), isa hygroscopic, white, hydrated crystalline powder that is solublein water (1:10). It is tasteless at first but leaves a veryslightly bitter aftertaste. The pK of cromolyn is 2. It is availableas a solution for a nebulizer, an aerosol spray, a nasal solution,an ophthalmic solution, and an oral concentrate.Nebulized and aerosol cromolyn has been used for prophylacticmanagement of bronchial asthma and prevention ofexercise-induced bronchospasm. Cromolyn nasal solution isused for the prevention and treatment of allergic rhinitis, andoral concentrate is used to treat the histaminic symptomsof mastocytosis (diarrhea, flushing, headaches, vomiting, urticaria,abdominal pain, nausea, and itching). Topical cromolyn(eye drops) is used to treat allergic conjunctivitis andkeratitis. In the treatment of asthma, cromolyn efficacy is manifestedby decreased severity of clinical symptoms, or need for concomitant therapy, or both. Long-term use is justified if thedrug significantly reduces the severity of asthma symptoms;permits a significant reduction in, or elimination of, steroiddosage; or improves management of those who have intolerableside effects to sympathomimetic agents or methylxanthines.For cromolyn to be effective, it must be administered atleast 30 minutes prior to antigen challenge and administered atregular intervals (see dosing information that follows). Wheninhaled, the powder does produce irritation in some patients.Also, overuse of cromolyn can result in tolerance.
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