Products for Research Use Only
RegisterLogin

Verofylline

CAT: 0931-T35048-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T35048-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
66172-75-6
Target
PDE
Related Pathways
Metabolism
Purity
0.998
Bioactivity
Verofylline (Verofyllinum) is an orally available, long-acting, multiacting, methylxanthine-substituted bronchodilator with inhibitory effects on PDE4 for the treatment of asthma disease research obesity.
Smiles
C(C(CC)C)N1C2=C(C(=O)N(C)C1=O)NC(C)=N2
Molecular Formula
C12H18N4O2
Molecular Weight
250.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Verofylline
CAS Number66172-75-6
PubChem CID47845
IUPAC Name1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione
Molecular FormulaC12H18N4O2
Molecular Weight250.30
XLogP2.6
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity360
SMILES
CCC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C
InChI
InChI=1S/C12H18N4O2/c1-5-7(2)6-16-10-9(13-8(3)14-10)11(17)15(4)12(16)18/h7H,5-6H2,1-4H3,(H,13,14)
InChIKey
MTBUJUHRXVGLEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Verofylline
CAS: 66172-75-6
CID: 47845
Formula: C12H18N4O2
MW: 250.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.30
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass250.14297583
Monoisotopic Mass250.14297583
Topological Polar Surface Area69.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-106479-01Verofylline

Popular Products