AC1MIKAD

7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethyl-8-(2-methylmorpholin-4-yl)purine-2,6-dione

Also Known As: D 3206|Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-|7-(3-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-8-(2-methylmorpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-1,3-dimethyl-8-(2-methylmorpholino)-1H-purine-2,6(3H,7H)-dione|7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethyl-8-(2-methylmorpholin-4-yl)purine-2,6-dione|1H-Purine-2,6-dione, 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-8-(2-methyl-4-morpholinyl)-|7-(3-((2-(3,4-DIHYDROXYPHENYL)-2-HYDROXYETHYL)AMINO)PROPYL)-8-(2-METHYLMORPHOLINO)THEOPHYLLINE|7-(3-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-8-(2-methylmorpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione|7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-8-(2-methylmorpholino)theophyline

Molecular Formula	C23H32N6O6
Molecular Weight	488.23834 g/mol
LogP	-0.2167
Topological Polar Surface Area	147.01 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	488.23834
Monoisotopic Mass	488.23834
Heavy Atoms	35
Complexity	1328.7537

Chemical Identifiers

CAS Number	62402-02-2
SMILES	CC1CN(CCO1)C2=NC3=C(N2CCCNCC(C4=CC(=C(C=C4)O)O)O)C(=O)N(C(=O)N3C)C