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Merck

42993

Supelco

可可碱

analytical standard

别名:

2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine

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About This Item

经验公式(希尔记法):
C7H8N4O2
CAS号:
分子量:
180.16
Beilstein:
16464
EC號碼:
MDL號碼:
分類程式碼代碼:
85151701
PubChem物質ID:
NACRES:
NA.24

等級

analytical standard

品質等級

化驗

≥99.0% (HPLC)

儲存期限

limited shelf life, expiry date on the label

技術

HPLC: suitable
gas chromatography (GC): suitable

mp

345-350 °C

適合性

conforms to structure for Infrared spectrum

應用

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

格式

neat

SMILES 字串

[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 密鑰

YAPQBXQYLJRXSA-UHFFFAOYSA-N

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一般說明

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.

應用

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.

生化/生理作用

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

推薦產品

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.

象形圖

Exclamation mark

訊號詞

Warning

危險聲明

危險分類

Acute Tox. 4 Oral - Eye Irrit. 2

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 1

閃點(°F)

Not applicable

閃點(°C)

Not applicable


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分析证书(COA)

Lot/Batch Number

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访问文档库

Theobromine, caffeine, and theophylline metabolites in human plasma and urine after consumption of soluble cocoa products with different methylxanthine contents.
Martinez-Lopez S.
Food Research International, 63, 446-455 (2014)
Marcia S Bispo et al.
Journal of chromatographic science, 40(1), 45-48 (2002-03-02)
This work relates the development of an analytical methodology to simultaneously determine three methylxanthines (caffeine, theobromine, and theophylline) in beverages and urine samples based on reversed-phase high-performance liquid chromatography. Separation is made with a Bondesil C18 column using methanol-water-acetic acid
Rita Petrucci et al.
Biochimica et biophysica acta. General subjects, 1862(8), 1781-1789 (2018-05-16)
Antioxidant properties have been recently suggested for caffeine that seems showing protective effects against damages caused by oxidative stress. In particular, a HO scavenging activity has been ascribed to caffeine. Even if the oxidation of caffeine has been widely studied
Anne-Laure Gassner et al.
Journal of chromatography. A, 1353, 121-130 (2014-06-14)
Procedures for estimating the measurement uncertainty (MU) of the concentration of a given analyte in a sample are of major concern for analytical chemists. Unfortunately, it is still unclear how and why MU should be assessed. While several possibilities exist
Felix Grases et al.
PloS one, 9(10), e111184-e111184 (2014-10-22)
To assess the capacity of methylxanthines (caffeine, theophylline, theobromine and paraxanthine) to inhibit uric acid crystallization, and to evaluate their potential application in the treatment of uric acid nephrolithiasis. The ability of methylxathines to inhibit uric acid nucleation was assayed

实验方案

Qualitative Thin Layer Chromatography Analysis of Flavonoids and Quantification of Terpene Lactones in Ginkgo Biloba Extracts and Tablets

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