IMPC-051-03

Paraxanthine solution

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

• Empirical Formula (Hill Notation): C₇H₈N₄O₂
• CAS Number: 611-59-6
• Molecular Weight: 180.16
• EC Number: 200-659-6
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: certified reference material
• form: liquid
• feature: Snap-N-Spike^®/Snap-N-Shoot^®
• packaging: ampule of 1 mL
• manufacturer/tradename: Cerilliant^®
• concentration: 1.0 mg/mL in methanol
• technique(s): gas chromatography (GC): suitable; liquid chromatography (LC): suitable
• application(s): pharmaceutical (small molecule)
• format: single component solution
• storage temp.: room temp
• SMILES string: CN1C(=O)Nc2ncn(C)c2C1=O
• InChI: 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
• InChI key: QUNWUDVFRNGTCO-UHFFFAOYSA-N

Description

General description

Paraxanthine is a major plasma and urinary metabolite of caffeine. This xanthine derivative is, along with caffeine, a central nervous system stimulant. This Snap-N-Spike^® reference solution is applicable for caffeine quantitation in clinical toxicology or urine drug testing by LC-MS/MS or GC/MS.

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany

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 Statements: H225,H301 + H311 + H331,H370
• Precautionary Statements: P210 - P233 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
• Target Organs: Eyes,Central nervous system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 49.5 °F - closed cup
• Flash Point(C): 9.7 °C - closed cup