Metabolite 5-hydroxy dexlansoprazole sulfone
- Name
- 5-hydroxy dexlansoprazole sulfone
- Description
- Not Available
- Structure
Structure for 5-hydroxy dexlansoprazole sulfone
- Synonyms
- 1H-BENZIMIDAZOL-6-OL, 2-(((3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL)METHYL)SULFONYL)- / 5-HYDROXYLANSOPRAZOLE SULFONE
- External IDs
- AG-1909
- UNII
- T8FDZ9V6PR
- CAS number
- 131927-00-9
- Weight
- Average: 401.36
Monoisotopic: 401.065711606 - Chemical Formula
- C16H14F3N3O4S
- InChI Key
- FJCXMOYNXRDYCX-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H14F3N3O4S/c1-9-13(20-5-4-14(9)26-8-16(17,18)19)7-27(24,25)15-21-11-3-2-10(23)6-12(11)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
- IUPAC Name
- 2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfonyl}-1H-1,3-benzodiazol-5-ol
- SMILES
- CC1=C(CS(=O)(=O)C2=NC3=C(N2)C=CC(O)=C3)N=CC=C1OCC(F)(F)F
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 34994170
- Predicted Properties
Property Value Source logP 2.84 Chemaxon pKa (Strongest Acidic) 6.67 Chemaxon pKa (Strongest Basic) 3.87 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 105.17 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 89.07 m3·mol-1 Chemaxon Polarizability 36.03 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon