Xanthinol nicotinateProduct ingredient for Xanthinol
- Name
- Xanthinol nicotinate
- Drug Entry
- Xanthinol
Xanthinol is a very potent water-soluble derivative of niacin that can be found in diet supplements. It is also known as xanthinol nicotinate. 6 Xaninthol is known to be a potent vasodilator that can easily pass through the cell membrane and once inside the cell it causes an increase in glucose metabolism resulting in an increased energy. 7 It was approved as a drug in 1998 in Canada and nowadays its status is cancelled post marketing.
- Accession Number
- DBSALT001141
- Structure
Structure for Xanthinol nicotinate (DBSALT001141)
- Synonyms
- Xanthinol niacinate / Xantinol nicotinate
- UNII
- 8G60H12X2D
- CAS Number
- 437-74-1
- Weight
- Average: 434.453
Monoisotopic: 434.191382581 - Chemical Formula
- C19H26N6O6
- InChI Key
- GEPMAHVDJHFBJI-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)
- IUPAC Name
- 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; pyridine-3-carboxylic acid
- SMILES
- OC(=O)C1=CN=CC=C1.CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C
- External Links
- ChemSpider
- 9525
- ChEMBL
- CHEMBL1560089
- Wikipedia
- Xanthinol
- Predicted Properties
Property Value Source Water Solubility 17.3 mg/mL ALOGPS logP -1 ALOGPS logP -1.8 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 14.38 Chemaxon pKa (Strongest Basic) 8.86 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 102.14 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 80.11 m3·mol-1 Chemaxon Polarizability 32.06 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon