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T-013

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
NACRES:
NA.24
UNSPSC Code:
41116107
EC Number:
200-659-6
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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

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Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

49.5 °F - closed cup

flash_point_c

9.7 °C - closed cup

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