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42993

Supelco

Theobromin

analytical standard

Synonym(e):

2,6-Dihydroxy-3,7-dimethyl-purin, 3,7-Dihydro-3,7-dimethyl-1H-purin-2,6-dion, 3,7-Dimethyl-xanthin

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About This Item

Empirische Formel (Hill-System):
C7H8N4O2
CAS-Nummer:
83-67-0
Molekulargewicht:
180.16
Beilstein:
16464
EG-Nummer:
201-494-2
MDL-Nummer:
MFCD00022830
UNSPSC-Code:
85151701
PubChem Substanz-ID:
329756295

Qualität

analytical standard

Qualitätsniveau

100

Assay

≥99.0% (HPLC)

Haltbarkeit

limited shelf life, expiry date on the label

Methode(n)

HPLC: suitable
gas chromatography (GC): suitable

mp (Schmelzpunkt)

345-350 °C

Eignung

conforms to structure for Infrared spectrum

Anwendung(en)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

Format

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)

InChIKey

YAPQBXQYLJRXSA-UHFFFAOYSA-N

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Verwandte Kategorien

Allgemeine Beschreibung

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.

Anwendung

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. Wirkung

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

Empfohlene Produkte

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.

Piktogramme

Exclamation mark
GHS07

Signalwort

Warning

H-Sätze

H302 - H319

Gefahreneinstufungen

Acute Tox. 4 Oral - Eye Irrit. 2

Lagerklassenschlüssel

11 - Combustible Solids

WGK

WGK 1

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable

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Analysenzertifikate (COA)

Lot/Batch Number

Sorry, we don't have COAs for this product available online at this time.

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1,7-Dimethylxanthin ~98%, solid

Sigma-Aldrich

D5385

1,7-Dimethylxanthin

Mouse IL-1 β ELISA Kit for serum, plasma and cell culture supernatant

Sigma-Aldrich

RAB0274

Mouse IL-1 β ELISA Kit

(−)-Epicatechin analytical standard

Supelco

68097

(−)-Epicatechin

Paraxanthin 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

Supelco

IMPC-051-03

Paraxanthin

Koffein Pharmaceutical Secondary Standard; Certified Reference Material

Supelco

PHR1009

Koffein

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
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