7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Oxoethyl](Phenylmethyl)Amino]Propyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione Monohydrochloride
[CAS# 40254-73-7]

Identification

• Name: 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Oxoethyl](Phenylmethyl)Amino]Propyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione Monohydrochloride
• Synonyms: 7-[3-[Benzyl-[2-(3,5-Dihydroxyphenyl)-2-Oxo-Ethyl]Amino]Propyl]-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride; 7-[3-[Benzyl-[2-(3,5-Dihydroxyphenyl)-2-Keto-Ethyl]Amino]Propyl]-1,3-Dimethyl-Xanthine Hydrochloride; 7-[3-[[2-(3,5-Dihydroxyphenyl)-2-Oxo-Ethyl]-(Phenylmethyl)Amino]Propyl]-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride
• Molecular Formula: C₂₅H₂₈ClN₅O₅
• Molecular Weight: 513.98
• CAS Registry Number: 40254-73-7
• EINECS: 254-859-3
• SMILES: [H+].C1=NC4=C([N]1CCCN(CC2=CC=CC=C2)CC(=O)C3=CC(=CC(=C3)O)O)C(=O)N(C(=O)N4C)C.[Cl-]
• InChI: 1S/C25H27N5O5.ClH/c1-27-23-22(24(34)28(2)25(27)35)30(16-26-23)10-6-9-29(14-17-7-4-3-5-8-17)15-21(33)18-11-19(31)13-20(32)12-18;/h3-5,7-8,11-13,16,31-32H,6,9-10,14-15H2,1-2H3;1H
• InChIKey: PZUVSJJEOLUMIN-UHFFFAOYSA-N

Properties

• Boiling point: 738.6°C at 760 mmHg (Cal.)
• Flash point: 400.5°C (Cal.)