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42993 Supelco

Theobromine

analytical standard

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

  • CAS Number 83-67-0

  • Empirical Formula (Hill Notation) C7H8N4O2

  • Molecular Weight 180.16

  •  Beilstein/REAXYS Number 16464

  •  EC Number 201-494-2

  •  MDL number MFCD00022830

  •  PubChem Substance ID 329756295

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Properties

Related Categories Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Analytical Standards, Analytical/Chromatography, Cocoa,
grade   analytical standard
InChI Key   YAPQBXQYLJRXSA-UHFFFAOYSA-N
assay   ≥99.0% (HPLC)
form   neat
shelf life   limited shelf life, expiry date on the label
application(s)   HPLC: suitable
  gas chromatography (GC): suitable
mp   345-350 °C
suitability   conforms to structure for Infrared spectrum
Featured Industry   Cosmetics, Personal Care, and Cleaning Products
Food and Beverages
format   neat

Description

General description

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.

Application

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.

Biochem/physiol Actions

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

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
RIDADR 
NONH for all modes of transport
WGK Germany 
1
RTECS 
XH2275000

Documents

Certificate of Analysis

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Protocols & Articles

Articles

HPLC Analysis of Bronchodilators Theophylline and Other Caffeine Metabolites in Serum on Discovery® RP-AmideC16 after SPE using Discovery® DSC-18

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Bronchodilators Theophylline and Other Caffeine Metabolites in Serum on Discovery® RP-AmideC16 after SPE using Discovery® DSC-18
Keywords: Calorimetry, Chromatography, Clinical, High performance liquid chromatography, Pharmaceutical, Sample preparations, Solid phase extractions

HPLC Analysis of Caffeine Metabolites and Analogs on Discovery® C18

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Caffeine Metabolites and Analogs on Discovery® C18
Keywords: Chromatography, Clinical, High performance liquid chromatography

HPLC Analysis of Caffeine and Metabolites on Ascentis® RP-Amide

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Caffeine and Metabolites on Ascentis® RP-Amide
Keywords: Chromatography, Clinical, High performance liquid chromatography

HPLC Analysis of Xanthines on Purospher®STAR RP-18 endcapped

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Xanthines on Purospher®STAR RP-18 endcapped
Keywords: Chromatography, Clinical, High performance liquid chromatography, Pharmaceutical, Separation

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

Ginkgo is one of the oldest medicinal plants on earth. Originally it comes from China but nowadays it is cultivated all over the world. The plant contains various flavonoids and terpenes, which are r...
Keywords: Derivatizations, Diseases, Mass spectrometry, Sample preparations, Separation, Size-exclusion chromatography, Thin layer chromatography

TLC Analysis of Ingredients in Circulatory Stimulants on HPTLC Silica Gel 60 RP-18 WF 254s with concentrating zone (analyte set 2)

From our library of Articles, Sigma-Aldrich presents TLC Analysis of Ingredients in Circulatory Stimulants on HPTLC Silica Gel 60 RP-18 WF 254s with concentrating zone (analyte set 2)
Keywords: Thin layer chromatography

TLC Analysis of N-Methyl Xanthine Derivatives on HPTLC NH2 F254s

From our library of Articles, Sigma-Aldrich presents TLC Analysis of N-Methyl Xanthine Derivatives on HPTLC NH2 F254s
Keywords: Thin layer chromatography, Vitamins

TLC Analysis of Xanthine and its N-methyl Derivatives on HPTLC NH2 F254s

From our library of Articles, Sigma-Aldrich presents TLC Analysis of Xanthine and its N-methyl Derivatives on HPTLC NH2 F254s
Keywords: Thin layer chromatography

Related Content

Flavor and Fragrance Analysis

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Peer-Reviewed Papers
15

References

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