7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]-2-Hydroxypropyl]Theophyline
[CAS# 62401-99-4]

Identification

• Name: 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]-2-Hydroxypropyl]Theophyline
• Synonyms: 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]-2-Hydroxy-Propyl]-3-Methyl-Purine-2,6-Dione; 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]-2-Hydroxy-Propyl]-3-Methyl-Xanthine; D 4933
• Molecular Formula: C₁₇H₂₁N₅O₆
• Molecular Weight: 391.38
• CAS Registry Number: 62401-99-4
• SMILES: C1=NC3=C([N]1CC(O)CNCC(O)C2=CC(=CC(=C2)O)O)C(=O)NC(=O)N3C
• InChI: 1S/C17H21N5O6/c1-21-15-14(16(27)20-17(21)28)22(8-19-15)7-12(25)5-18-6-13(26)9-2-10(23)4-11(24)3-9/h2-4,8,12-13,18,23-26H,5-7H2,1H3,(H,20,27,28)
• InChIKey: RAIKCYJJZHHHNG-UHFFFAOYSA-N

Properties

• Density: 1.637g/cm³ (Cal.)