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Verofylline

CAT: 0804-HY-106479-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106479-02Size:5 mg
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Description
Verofylline is a kind of biological materials or organic compounds that are widely used in life science research[1].
CAS Number
66172-75-6
UNSPSC
12352005
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/verofylline.html
Smiles
O=C1C2=C(N(CC(CC)C)C(N1C)=O)N=C(C)N2
Molecular Formula
C12H18N4O2
Molecular Weight
250.30
References & Citations
[1]Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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
GTR19244114-01Verofylline

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