Theophylline magnesium salicylate pentahydrate
[CAS# 77254-85-4]

Identification

• Name: Theophylline magnesium salicylate pentahydrate
• Synonyms: Magnesium; 1,3-Dimethyl-7H-Purine-2,6-Dione; 2-(Hydroxy-Oxido-Methyl)Phenolate; Magnesium; 2-(Hydroxy-Oxido-Methyl)Phenolate; Theophylline
• Molecular Formula: C₁₄H₁₄MgN₄O₅
• Molecular Weight: 342.59
• CAS Registry Number: 77254-85-4
• SMILES: C1=NC2=C([NH]1)C(=O)N(C(N2C)=O)C.C3=CC=C(C(=C3)C([O-])O)[O-].[Mg++]
• InChI: 1S/C7H8N4O2.C7H7O3.Mg/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,8,9);1-4,7-9H;/q;-1;+2/p-1
• InChIKey: QMROWKNOXHUYOJ-UHFFFAOYSA-M