Dapagliflozin propanediol monohydrateProduct ingredient for Dapagliflozin
- Name
- Dapagliflozin propanediol monohydrate
- Drug Entry
- Dapagliflozin
Dapagliflozin is a sodium-glucose cotransporter 2 inhibitor indicated for managing diabetes mellitus type 2.1 When combined with diet and exercise in adults, dapagliflozin helps to improve glycemic control by inhibiting glucose reabsorption in the proximal tubule of the nephron and causing glycosuria.1 Dapagliflozin was approved by the FDA on Jan 08, 2014.3
- Accession Number
- DBSALT001101
- Structure
Structure for Dapagliflozin propanediol monohydrate (DBSALT001101)
- Synonyms
- Dapagliflozin compound with (2s)-1,2-propanediol hydrate / Dapagliflozin propanediol / Dapagliflozin propylene glycolate hydrate
- External IDs
- BMS-512148-05
- UNII
- 887K2391VH
- CAS Number
- 960404-48-2
- Weight
- Average: 502.99
Monoisotopic: 502.1969604 - Chemical Formula
- C24H35ClO9
- InChI Key
- GOADIQFWSVMMRJ-UPGAGZFNSA-N
- InChI
- InChI=1S/C21H25ClO6.C3H8O2.H2O/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21;1-3(5)2-4;/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-5H,2H2,1H3;1H2/t17-,18-,19+,20-,21+;3-;/m10./s1
- IUPAC Name
- (2S)-propane-1,2-diol (2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol hydrate
- SMILES
- O.C[C@H](O)CO.CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1
- External Links
- ChemSpider
- 28529466
- ChEBI
- 85079
- ChEMBL
- CHEMBL2103802
- Wikipedia
- Dapagliflozin
- Predicted Properties
Property Value Source Water Solubility 0.173 mg/mL ALOGPS logP 2.52 ALOGPS logP 2.11 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 12.57 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 99.38 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 104.93 m3·mol-1 Chemaxon Polarizability 42.53 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon