42993

テオブロミン

analytical standard

• 別名: 2,6-ジヒドロキシ-3,7-ジメチルプリン, 3,7-ジヒドロ-3,7-ジメチル-1H-プリン-2,6-ジオン, 3,7-ジメチルキサンチン
• 実験式（ヒル表記法）: C₇H₈N₄O₂
• CAS番号: 83-67-0
• 分子量: 180.16
• Beilstein: 16464
• EC Number: 201-494-2
• MDL番号: MFCD00022830
• UNSPSCコード: 85151701
• PubChem Substance ID: 329756295
• NACRES: NA.24

特性

• グレード: analytical standard
• 品質水準: 100
• アッセイ: ≥99.0% (HPLC)
• シェルフライフ: limited shelf life, expiry date on the label
• テクニック: HPLC: suitable; gas chromatography (GC): suitable
• mp: 345-350 °C
• 適合性: conforms to structure for Infrared spectrum
• アプリケーション: cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• フォーマット: neat
• SMILES記法: [H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O
• InChI: 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
• InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N

詳細

詳細

Theobromine is an active bronchodilator drug ingredient used in the treatment of acute and chronic asthma. It is a naturally present alkaloid in a wide variety of foods and beverages, such as coffee, cocoa, tea, yerba mate and energizing drinks.

アプリケーション

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Theobromine may be used as a reference standard for the determination of theobromine metabolites in human plasma and urine after consumption of soluble cocoa products with different methylxanthine contents by high-performance liquid chromatography and diode array detection (HPLC-DAD) method.

生物化学的／生理学的作用

ホスホジエステラ-ゼインヒビタ-であり、アデノシンレセプタ-に対する弱いアンタゴニスト作用があります。利尿薬、平滑筋弛緩薬です。

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Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H302,H319
• 注意書き: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• 危険有害性の分類: Acute Tox. 4 Oral - Eye Irrit. 2
• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 1
• 引火点(°F): Not applicable
• 引火点(℃): Not applicable