AC1MIAKD

1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethyl]purine-2,6-dione;hydrobromide

Also Known As: Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide|N(sup 1)-Theophyllinylethyl-N(sup 4)-methylpiperazine hydrobromide|1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethyl]purine-2,6-dione hydrobromide|1,3-Dimethyl-7-[2-(4-methylpiperazin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione--hydrogen bromide (1/1)

Molecular Formula	C14H23BrN6O2
Molecular Weight	386.1066 g/mol
LogP	-0.741
Topological Polar Surface Area	68.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	386.1066
Monoisotopic Mass	386.1066
Heavy Atoms	23
Complexity	799.926

Chemical Identifiers

CAS Number	53499-64-2
SMILES	CN1CCN(CC1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Br