LJ 278

7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

Also Known As: LJ 278|Theophylline, 7-(p-(dimethylamino)benzyl)-, hydrochloride|p-Dimethylamino-benzyl theophylline chlorhydrate|p-Dimethylamino-benzyl theophylline chlorhydrate [French]|(p-Dimethylamino benzyl)-7 dimethyl-1,3 xanthine chlorhydrate|(p-Dimethylamino benzyl)-7 dimethyl-1,3 xanthine chlorhydrate [French]|1H-Purine-2,6-dione, 7-((4-(dimethylamino)phenyl)methyl)-3,7-dihydro-1,3-dimethyl-, monohydrochloride|7-[4-(dimethylamino)benzyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione hydrochloride(1:1)|7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione;hydrochloride|7-(4-(dimethylamino)benzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride|7-[(4-dimethylaminophenyl)methyl]-1,3-dimethylpurine-2,6-dione hydrochloride|7-{[4-(Dimethylamino)phenyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)

Molecular Formula	C16H20ClN5O2
Molecular Weight	349.13055 g/mol
LogP	0.97
Topological Polar Surface Area	65.06 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	349.13055
Heavy Atoms	24
Complexity	982.6

Chemical Identifiers

CAS Number	1703-49-7
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)N(C)C.Cl