Metabolite 3-hydroxy-4-aminopyridine sulfate
- Name
- 3-hydroxy-4-aminopyridine sulfate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- G2432XF5PX
- CAS number
- Not Available
- Weight
- Average: 190.177
Monoisotopic: 190.00482738 - Chemical Formula
- C5H6N2O4S
- InChI Key
- UHYGMFPQJLJNNE-UHFFFAOYSA-N
- InChI
- InChI=1S/C5H6N2O4S/c6-4-1-2-7-3-5(4)11-12(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)
- IUPAC Name
- (4-aminopyridin-3-yl)oxidanesulfonic acid
- SMILES
- NC1=C(OS(O)(=O)=O)C=NC=C1
- Reactions
- Dalfampridine 3-hydroxy-4-aminopyridine sulfate
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 138.8276179 predictedDarkChem Lite v0.1.0 [M-H]- 136.27382 predictedDeepCCS 1.0 (2019) [M+H]+ 138.1896179 predictedDarkChem Lite v0.1.0 [M+H]+ 138.82176 predictedDeepCCS 1.0 (2019) [M+Na]+ 138.9645179 predictedDarkChem Lite v0.1.0 [M+Na]+ 147.18889 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0061120
- ChemSpider
- 30778629
- ChEBI
- 169049
- Predicted Properties
Property Value Source Water Solubility 5.2 mg/mL ALOGPS logP -1.8 ALOGPS logP -3 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) -2.8 Chemaxon pKa (Strongest Basic) 7.69 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 102.51 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 40.57 m3·mol-1 Chemaxon Polarizability 15.66 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon