T-013

Theobromine solution

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

• 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
• eCl@ss: 25140904

Properties

• 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

Description

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

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Codes: H225,H301 + H311 + H331,H370
• Precautionary Statements: P210 - P260 - P280 - P301 + P310 - P311
• 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