Anadin
[CAS# 53908-20-6]

Identification

• Name: Anadin
• Synonyms: 2-Acetoxybenzoic Acid; 1,3,7-Trimethylpurine-2,6-Dione; 2-Acetoxybenzoic Acid; 1,3,7-Trimethylxanthine; 2-(Acetyloxy)Benzoic Acid Mixt. With 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione
• Molecular Formula: C₁₇H₁₈N₄O₆
• Molecular Weight: 374.35
• CAS Registry Number: 53908-20-6
• SMILES: C1=NC2=C([N]1C)C(=O)N(C(=O)N2C)C.C3=C(C(=CC=C3)OC(=O)C)C(=O)O
• InChI: 1S/C9H8O4.C8H10N4O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h2-5H,1H3,(H,11,12);4H,1-3H3
• InChIKey: AEDBPCUEFFFHBP-UHFFFAOYSA-N

Properties

• Boiling point: 416.8°C at 760 mmHg (Cal.)
• Flash point: 205.9°C (Cal.)