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Xanthinol

CAT: 0931-T206921-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T206921-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2530-97-4
Target
PDGFR
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Bioactivity
Xanthinol is an effective modulator of tumor hemodynamics.
Smiles
O=C1C2=C(N=CN2CC(O)CN(C)CCO)N(C(=O)N1C)C
Molecular Formula
C13H21N5O4
Molecular Weight
311.337
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Xanthinol

7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione is an oxopurine.

CAS Number2530-97-4
PubChem CID9913
IUPAC Name7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC13H21N5O4
Molecular Weight311.34
XLogP-1.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity435
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O
InChI
InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3
InChIKey
DSFGXPJYDCSWTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthinol
CAS: 2530-97-4
CID: 9913
Formula: C13H21N5O4
MW: 311.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.34
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass311.15935417
Monoisotopic Mass311.15935417
Topological Polar Surface Area102 Ų
Heavy Atom Count22
Formal Charge0
Complexity435
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

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A17451-250Xanthinol Nicotinate 250mg
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A17451-50Xanthinol Nicotinate 50mg
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