RefChem:384398

2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(pyridine-4-carbonyloxy)propyl]-methylamino]ethyl pyridine-4-carboxylate

Also Known As: 7-(3-N-Methylisonicotinoyloxyethylamino)-2-(hydroxypropyl)theophylline isonicotinate|7-Theophyllineethanol, alpha-(N-methylisonicotinoyloxyethylaminomethyl)-, isonicotinate|Theophylline, 7-(2-hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)-, diisonicotinate (ester)|1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-3-{methyl[2-(pyridine-4-carbonyloxy)ethyl]amino}propan-2-yl pyridine-4-carboxylate|2-((3-(1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-2-(isonicotinoyloxy)propyl)(methyl)amino)ethyl isonicotinate|7-(2-HYDROXY-3-(N-(2-HYDROXYETHYL)-N-METHYLAMINO)PROPYL)THEOPHYLLINE DIISONICOTINATE|1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-(methyl{2-[(pyridine-4-carbonyl)oxy]ethyl}amino)propan-2-yl pyridine-4-carboxylate|2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(pyridine-4-carbonyloxy)propyl]-methylamino]ethyl pyridine-4-carboxylate

Molecular Formula	C25H27N7O6
Molecular Weight	521.2023 g/mol
LogP	0.2381
Topological Polar Surface Area	143.44 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	521.2023
Monoisotopic Mass	521.2023
Heavy Atoms	38
Complexity	1545.7168

Chemical Identifiers

CAS Number	51920-69-5
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCOC(=O)C3=CC=NC=C3)OC(=O)C4=CC=NC=C4