7-(2-{Benzyl[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride (1:1)
[CAS# 85665-61-8]

Identification

• Name: 7-(2-{Benzyl[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride (1:1)
• Synonyms: 7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl](phenylmethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride
• Molecular Formula: C₂₄H₂₆ClN₅O₅
• Molecular Weight: 499.95
• CAS Registry Number: 85665-61-8
• EINECS: 288-151-0
• SMILES: Cl.O=C(c1ccc(O)c(O)c1)CN(Cc2ccccc2)CCn3c4c(nc3)N(C(=O)N(C4=O)C)C
• InChI: 1S/C24H25N5O5.ClH/c1-26-22-21(23(33)27(2)24(26)34)29(15-25-22)11-10-28(13-16-6-4-3-5-7-16)14-20(32)17-8-9-18(30)19(31)12-17;/h3-9,12,15,30-31H,10-11,13-14H2,1-2H3;1H
• InChIKey: MMEIKUJPOXZQFE-UHFFFAOYSA-N

Properties

• Boiling point: 761.1°C at 760 mmHg (Cal.)
• Flash point: 414.1°C (Cal.)