Computed Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.312g/mol
Monoisotopic Mass:
278.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Synonyms
Cervilane
lomifylline
Cervilane
SMR000466379
Lomifylline [INN]
Lomifilina [INN-Spanish]
Lomifyllinum [INN-Latin]
EINECS 233-547-0
AC1L23KW
7-(5-Oxohexyl)theophylline
MLS000759512
MLS001424104
Lomifylline
CHEMBL311948
SCHEMBL1649451
CHEBI:94702
DTXSID10144848
XBEDAMVJWVPVDS-UHFFFAOYSA-N
HMS2051P03
HMS3393P03
1,2,3,6-Tetrahydro-1,3-dimethyl-7-(5-oxohexyl)purin-2,6-dion
ZINC2020029
7-(5-oxohexyl)-1,3-dimethylxanthine
10226-54-7
AKOS016013999
CCG-100918
NC00168
1,3-dimethyl-7-(5-oxohexyl)-xanthine
7-(5-keto-hexyl)-1,3-dimethylxanthine
NCGC00246970-01
AJ-32738
CJ-31484
CPD000466379
SAM001246741
1,3-Dimethyl-7-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione
FT-0630377
Purin-2,6-dione, 1,2,3,6-tetrahydro-1,3-dimethyl-7-(5-oxohexyl)-
C13H18N4O3
CID65599
C13-H18-N4-O3
A12863
UNII-NA91GV8GDJ
NA91GV8GDJ
1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione
Lomifilina
Lomifyllinum
