7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Propyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione Monohydrochloride
[CAS# 13055-82-8]

Identification

• Name: 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Propyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione Monohydrochloride
• Synonyms: 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Propyl]-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride; 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Propyl]-1,3-Dimethyl-Xanthine Hydrochloride; 1H-Purine-2,6-Dione, 7-(3-((2-(3,5-Dihydroxyphenyl)-2-Hydroxyethyl)Amino)Propyl)-3,7-Dihydro-1,3-Dimethyl-, Monohydrochloride
• Molecular Formula: C₁₈H₂₄ClN₅O₅
• Molecular Weight: 425.87
• CAS Registry Number: 13055-82-8
• EINECS: 235-942-3
• SMILES: [H+].C1=NC3=C([N]1CCCNCC(O)C2=CC(=CC(=C2)O)O)C(=O)N(C(=O)N3C)C.[Cl-]
• InChI: 1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H
• InChIKey: XSFWDHONRBZVEJ-UHFFFAOYSA-N

Properties

• Boiling point: 723.4°C at 760 mmHg (Cal.)
• Flash point: 391.3°C (Cal.)