222526

3-Methylxanthine

98%

• Synonym(s): 2,6-Dihydroxy-3-methylpurine
• Empirical Formula (Hill Notation): C₆H₆N₄O₂
• CAS Number: 1076-22-8
• Molecular Weight: 166.14
• Beilstein: 180944
• EC Number: 214-058-1
• MDL number: MFCD00005580
• UNSPSC Code: 12352005
• PubChem Substance ID: 24853339
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 98%
• mp: >300 °C (lit.)
• SMILES string: CN1C(=O)NC(=O)c2[nH]cnc12
• InChI: 1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
• InChI key: GMSNIKWWOQHZGF-UHFFFAOYSA-N
• Gene Information: rat ... Adora1(29290) , Adora2a(25369)

Description

General description

3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves