3-(2-(4-Amino-3-(Iodo-125I)Phenyl)Ethyl)-8-Cyclopentyl-3,7-Dihydro-1-Propyl-1H-Purine-2,6-Dione
[CAS# 116370-32-2]

Identification

• Name: 3-(2-(4-Amino-3-(Iodo-125I)Phenyl)Ethyl)-8-Cyclopentyl-3,7-Dihydro-1-Propyl-1H-Purine-2,6-Dione
• Synonyms: 3-(3-Iodo-4-Amino)Phenethyl-1-Propyl-8-Cyclopentylxanthine; I Bw A 844U; I-Bw-A844u
• Molecular Formula: C₂₁H₂₆IN₅O₂
• Molecular Weight: 507.37
• CAS Registry Number: 116370-32-2
• SMILES: [125I]C1=CC(=CC=C1N)CCN4C2=C([NH]C(=N2)C3CCCC3)C(N(C4=O)CCC)=O
• InChI: 1S/C21H26IN5O2/c1-2-10-27-20(28)17-19(25-18(24-17)14-5-3-4-6-14)26(21(27)29)11-9-13-7-8-16(23)15(22)12-13/h7-8,12,14H,2-6,9-11,23H2,1H3,(H,24,25)/i22-2
• InChIKey: AZWSEPNWIHTUNW-ONBQKKEBSA-N

Properties

• Density: 1.57g/cm³ (Cal.)