Metabolite 5-glucuronyloxy dexlansoprazole sulfide
- Name
- 5-glucuronyloxy dexlansoprazole sulfide
- Description
- Not Available
- Structure
Structure for 5-glucuronyloxy dexlansoprazole sulfide
- Synonyms
- Not Available
- UNII
- 33HSA7925C
- CAS number
- Not Available
- Weight
- Average: 545.49
Monoisotopic: 545.107970343 - Chemical Formula
- C22H22F3N3O8S
- InChI Key
- OYLMYFZXBPOFIG-HBWRTXEVSA-N
- InChI
- InChI=1S/C22H22F3N3O8S/c1-9-13(26-5-4-14(9)34-8-22(23,24)25)7-37-21-27-11-3-2-10(6-12(11)28-21)35-20-17(31)15(29)16(30)18(36-20)19(32)33/h2-6,15-18,20,29-31H,7-8H2,1H3,(H,27,28)(H,32,33)/t15-,16-,17+,18-,20+/m0/s1
- IUPAC Name
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-({[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfanyl)-1H-1,3-benzodiazol-6-yl]oxy}oxane-2-carboxylic acid
- SMILES
- CC1=C(CSC2=NC3=C(N2)C=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C3)N=CC=C1OCC(F)(F)F
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 52084378
- Predicted Properties
Property Value Source logP 0.13 Chemaxon pKa (Strongest Acidic) 3.17 Chemaxon pKa (Strongest Basic) 6.09 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 167.25 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 120.23 m3·mol-1 Chemaxon Polarizability 50.64 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon