Dexlansoprazole sesquihydrateProduct ingredient for Dexlansoprazole
- Name
- Dexlansoprazole sesquihydrate
- Drug Entry
- Dexlansoprazole
Dexlansoprazole is a new-generation proton pump inhibitor (PPI) used for the management of symptoms associated with gastroesophageal reflux disease (GERD) and erosive esophagitis. Dexlansoprazole is the R-enantiomer of Lansoprazole, which is composed of a racemic mixture of the R- and S-enantiomers. Compared to the older generation of PPIs (which includes Pantoprazole, Omeprazole, and Lansoprazole),6 dexlansoprazole has a unique pharmacokinetic profile due to its delayed-release and dual-delivery release system: This aims to address some limitations of the older-generation PPIs, such as short plasma half-life and the need for meal-associated dosing.1,3,6,9 Dexlansoprazole inhibits the final step in gastric acid production by blocking the (H+, K+)-ATPase enzyme.10
- Accession Number
- DBSALT003494
- Structure
Structure for Dexlansoprazole sesquihydrate (DBSALT003494)
- Synonyms
- Not Available
- UNII
- HS2S9VK3NH
- CAS Number
- 313640-86-7
- Weight
- Average: 792.77
Monoisotopic: 792.183458785 - Chemical Formula
- C32H34F6N6O7S2
- InChI Key
- XTQWZVSRVXCIGB-BBBDYAHLSA-N
- InChI
- InChI=1S/2C16H14F3N3O2S.3H2O/c2*1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;;;/h2*2-7H,8-9H2,1H3,(H,21,22);3*1H2/t2*25-;;;/m11.../s1
- IUPAC Name
- bis(2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl]-1H-1,3-benzodiazole) trihydrate
- SMILES
- O.O.O.CC1=C(C[S@@+]([O-])C2=NC3=C(N2)C=CC=C3)N=CC=C1OCC(F)(F)F.CC1=C(C[S@@+]([O-])C2=NC3=C(N2)C=CC=C3)N=CC=C1OCC(F)(F)F
- External Links
- ChemSpider
- 34991061
- Predicted Properties
Property Value Source logP 3.03 Chemaxon pKa (Strongest Acidic) 9.35 Chemaxon pKa (Strongest Basic) 4.16 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 67.87 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 87.61 m3·mol-1 Chemaxon Polarizability 34.54 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon