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10226-54-7,MFCD00867151
Catalog No.:AA0006ZN
10226-54-7 | 1,3-Dimethyl-7-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione
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50mg
3 weeks  
$450.00   $315.00
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500mg
3 weeks  
$2,100.00   $1,470.00
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Technical Information
Catalog Number:
AA0006ZN
Chemical Name:
1,3-Dimethyl-7-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione
CAS Number:
10226-54-7
Molecular Formula:
C13H18N4O3
Molecular Weight:
278.3070
MDL Number:
MFCD00867151
IUPAC Name:
1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione
InChI:
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3
InChI Key:
XBEDAMVJWVPVDS-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C
EC Number:
233-547-0
UNII:
NA91GV8GDJ
Properties
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 
Literature
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