42993

Theobromine

analytical standard

• 동의어(들): 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine
• 실험식(Hill 표기법): C₇H₈N₄O₂
• CAS Number: 83-67-0
• Molecular Weight: 180.16
• Beilstein: 16464
• EC Number: 201-494-2
• MDL number: MFCD00022830
• UNSPSC 코드: 85151701
• PubChem Substance ID: 329756295
• NACRES: NA.24

속성

• Grade: analytical standard
• Quality Level: 100
• 분석: ≥99.0% (HPLC)
• 유통기한: limited shelf life, expiry date on the label
• 기술: HPLC: suitable; gas chromatography (GC): suitable
• mp: 345-350 °C
• 적합성: conforms to structure for Infrared spectrum
• 응용 분야: cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• 형식: neat
• SMILES string: [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

설명

일반 설명

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.

애플리케이션

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.

생화학적/생리학적 작용

Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.

추천 제품

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.

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H302,H319
• 예방조치 성명서: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable