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T-013

Supelco

Theobromine solution

100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

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About This Item

Empirical Formula (Hill Notation):
C7H8N4O2
CAS Number:
83-67-0
Molecular Weight:
180.16
EC Number:
200-659-6
UNSPSC Code:
41116107
NACRES:
NA.24

grade

certified reference material

form

liquid

feature

Snap-N-Spike®/Snap-N-Shoot®

packaging

ampule of 1 mL

manufacturer/tradename

Cerilliant®

concentration

100 μg/mL in methanol

technique(s)

gas chromatography (GC): suitable
liquid chromatography (LC): suitable

application(s)

clinical testing

format

single component solution

storage temp.

−20°C

SMILES string

CN1C(=O)NC(=O)c2c1ncn2C

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

General description

Theobromine is a naturally occurring vasodilator, diuretic, and heart stimulant. Also known as xantheose, theobromine is prescribed for treatment of high blood pressure. This Certified Spiking Solution® is suitable for use as starting material in the preparation of calibrators and controls for theobromine testing methods by LC-MS/MS or GC-MS.

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany
CERTIFIED SPIKING SOLUTION is a registered trademark of Cerilliant Corporation
Snap-N-Shoot is a registered trademark of Cerilliant Corporation
Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

49.5 °F - closed cup

Flash Point(C)

9.7 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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1,7-Dimethylxanthine ~98%, solid

Sigma-Aldrich

D5385

1,7-Dimethylxanthine

Bodo Trognitz et al.
PloS one, 8(1), e54079-e54079 (2013-01-26)
The sensory quality and the contents of quality-determining chemical compounds in unfermented and fermented cocoa from 100 cacao trees (individual genotypes) representing groups of nine genotype spectra (GG), grown at smallholder plantings in the municipality of Waslala, Nicaragua, were evaluated
João Rodrigo Santos et al.
Analytica chimica acta, 715, 57-63 (2012-01-17)
In this work, the coupling of a commercial monolithic column to a traditional low pressure FIA system is proposed for the analysis of theobromine, theophylline and caffeine in coffee brewed samples using UV detection. The parameters mobile phase composition, flow
Angela Sotelo et al.
Plant foods for human nutrition (Dordrecht, Netherlands), 67(2), 148-155 (2012-03-13)
Foam-topped cacao and maize beverages have a long history in Mesoamerica. Tejate is such a beverage found primarily in the Zapotec region of the Central Valleys of Oaxaca, Mexico. Historically tejate has been ceremonially important but also as an essential
Irudayam Maria Johnson et al.
PloS one, 7(12), e50019-e50019 (2012-12-14)
Nucleic acids exist in a dynamic equilibrium with a number of molecules that constantly interact with them and regulate the cellular activities. The inherent nature of the structure and conformational integrity of these macromolecules can lead to altered biological activity
Betul Kargul et al.
Oral health & preventive dentistry, 10(3), 275-282 (2012-10-25)
The objectives of this in-vitro study were to investigate the effect of theobromine, which is the principle xanthine species in Theobroma cacao, at two concentrations on the surface hardness and topography of human enamel. Twenty-four freshly extracted human third molars
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