Metabolite 4-Sulfonyloxy dexlansoprazole
- Name
- 4-Sulfonyloxy dexlansoprazole
- Description
- Not Available
- Structure
Structure for 4-Sulfonyloxy dexlansoprazole
- Synonyms
- 1H-BENZIMIDAZOL-7-OL, 2-((R)-((3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL)METHYL)SULFINYL)-, 7-(HYDROGEN SULFATE)
- UNII
- RL0K4IX9RF
- CAS number
- 1421610-14-1
- Weight
- Average: 465.42
Monoisotopic: 465.02761202 - Chemical Formula
- C16H14F3N3O6S2
- InChI Key
- ZDTGUAQXJVEJHT-GDLZYMKVSA-N
- InChI
- InChI=1S/C16H14F3N3O6S2/c1-9-11(20-6-5-12(9)27-8-16(17,18)19)7-29(23)15-21-10-3-2-4-13(14(10)22-15)28-30(24,25)26/h2-6H,7-8H2,1H3,(H,21,22)(H,24,25,26)/t29-/m1/s1
- IUPAC Name
- {2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl]-1H-1,3-benzodiazol-4-yl}oxidanesulfonic acid
- SMILES
- CC1=C(C[S@@+]([O-])C2=NC3=C(N2)C=CC=C3OS(O)(=O)=O)N=CC=C1OCC(F)(F)F
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 52083748
- Predicted Properties
Property Value Source logP -0.38 Chemaxon pKa (Strongest Acidic) -2.7 Chemaxon pKa (Strongest Basic) 4.16 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 131.47 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 99.58 m3·mol-1 Chemaxon Polarizability 40.48 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